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Chemical ID: 6469915
Chemical ID:
6469915
Name [?]:
2-(cyclohexyl-methylsulfonyl-amino)-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)C
InChi [?]:
InChI=1/C13H26N2O3S/c1-4-11(2)14-13(16)10-15(19(3,17)18)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,4,19,2,13,12,14,11,15,8,3,10,6,5,9,7,17,18,16/E:(6,7)(8,9)(17,18)/CRV:19.6/rA:19cCCCCNCOCNCCCCCCSOOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;s9;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.09938 |
Area: | 475.016 |
Solvation: | -2.77601 |
Coulombic: | -26.8658 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 290.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.9 |
LogP (Chemaxon): | 0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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