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Chemical ID: 4248098
Chemical ID:
4248098
Name [?]:
2-(cyclohexyl-methylsulfonyl-amino)acetamide
SMILES [?]:
CS(=O)(=O)N(CC(=O)N)C1CCCCC1
InChi [?]:
InChI=1/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,6,10,7,9,5,8,3,4,2/E:(3,4)(5,6)(13,14)/CRV:15.6/rA:15cCSOONCCONCCCCCC/rB:s1;d2;d2;s2;s5;s6;d7;s7;s5;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.28377 |
Area: | 383.893 |
Solvation: | -4.31356 |
Coulombic: | -28.7048 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.317 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.14 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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