ChemDB: Chemical Search
Download
Chemical ID: 6322455
Chemical ID:
6322455
Name [?]:
N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
SMILES [?]:
CS(=O)(=O)NCC1CCCO1
InChi [?]:
InChI=1/C6H13NO3S/c1-11(8,9)7-5-6-3-2-4-10-6/h6-7H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,6,7,5,3,4,11,2/E:(8,9)/CRV:11.6/rA:11cCSOONCCCCCO/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H13NO3S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.69585 |
Area: | 336.668 |
Solvation: | -3.72084 |
Coulombic: | -16.5965 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.23 |
LogP (Chemaxon): | -0.9 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|