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Chemical ID: 6469912
Chemical ID:
6469912
Name [?]:
2-(cyclohexyl-methylsulfonyl-amino)-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)C
InChi [?]:
InChI=1/C11H22N2O3S/c1-3-12-11(14)9-13(17(2,15)16)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,17,2,11,10,12,9,13,6,8,4,3,7,5,15,16,14/E:(5,6)(7,8)(15,16)/CRV:17.6/rA:17cCCNCOCNCCCCCCSOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s8s12;s7;d14;d14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.99251 |
Area: | 433.338 |
Solvation: | -2.84094 |
Coulombic: | -26.3548 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.08 |
LogP (Chemaxon): | -0.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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