(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide

C17H31NOS — CID 100614916

IUPAC(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
SMILESCS[C@@H]1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1
InChIInChI=1S/C17H31NOS/c1-13(14-7-4-3-5-8-14)11-17(19)18-15-9-6-10-16(12-15)20-2/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,15+,16+/m0/s1
InChIKeyPFCJFQOCADGRIM-NUEKZKHPSA-N
MW297.51 g/mol
LogP4.38
Rot. Bonds5

About (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide

(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide (PubChem CID 100614916) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
PubChem CID100614916
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
SMILESCS[C@@H]1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1
InChIInChI=1S/C17H31NOS/c1-13(14-7-4-3-5-8-14)11-17(19)18-15-9-6-10-16(12-15)20-2/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,15+,16+/m0/s1
InChIKeyPFCJFQOCADGRIM-NUEKZKHPSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-methylsulfanylethyl)acetamide
CID 18360983
cis-(1R,2R)-N-(cyanomethyl)-2-(cyclohexylsulfanylmethyl)cyclohexane-1-carboxamide
CID 87700133
N-(cyanomethyl)-2-(cyclohexylsulfanylmethyl)cyclohexane-1-carboxamide
CID 87700134
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]cyclohexyl] 2-methylpropanethioate
CID 89475571
3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide
CID 91112055
3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide
CID 91495124
N-(3-methylsulfanylbutyl)cyclohexanecarboxamide
CID 118661328
4-methylsulfanyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 123498489
N-(3-methylbutyl)-4-methylsulfanylcyclohexane-1-carboxamide
CID 123797281
2-[1-[(heptan-3-ylamino)methyl]cyclohexyl]-N-[2-(2-methylhexylsulfanyl)ethyl]acetamide
CID 129142723
S-propan-2-yl 5-(butan-2-ylcarbamoyl)-2-methylheptanethioate
CID 129274024
2-hexyl-N-(2-methylsulfanylethyl)nonanamide
CID 132137506

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide?
The IUPAC name of (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide (CID 100614916) is (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide?
The canonical SMILES for (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide is CS[C@@H]1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1.
What is the InChIKey of (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide?
The InChIKey is PFCJFQOCADGRIM-NUEKZKHPSA-N. The full InChI is InChI=1S/C17H31NOS/c1-13(14-7-4-3-5-8-14)11-17(19)18-15-9-6-10-16(12-15)20-2/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,15+,16+/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide?
(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide has a molecular weight of 297.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide is sourced from PubChem (CID 100614916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).