2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide

C15H21NO2S — CID 62366139

IUPAC2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CSCc1ccccc1)NC1CCCCC1O
InChIInChI=1S/C15H21NO2S/c17-14-9-5-4-8-13(14)16-15(18)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18)
InChIKeyPULJAHOOTYRRDI-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.34
Rot. Bonds5

About 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide

2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 62366139) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
PubChem CID62366139
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CSCc1ccccc1)NC1CCCCC1O
InChIInChI=1S/C15H21NO2S/c17-14-9-5-4-8-13(14)16-15(18)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18)
InChIKeyPULJAHOOTYRRDI-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 104957457
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
2-[2-[(2-hydroxycyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569846
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
2-(cyanomethylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957139
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
2-butylsulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927137
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide (CID 62366139) is 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide is O=C(CSCc1ccccc1)NC1CCCCC1O.
What is the InChIKey of 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is PULJAHOOTYRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-14-9-5-4-8-13(14)16-15(18)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18).
What are the key properties of 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide?
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 62366139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).