N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide

C15H21NO2S — CID 66348936

IUPACN-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(CO)c1)NC1CCCCC1
InChIInChI=1S/C15H21NO2S/c17-10-12-5-4-8-14(9-12)19-11-15(18)16-13-6-2-1-3-7-13/h4-5,8-9,13,17H,1-3,6-7,10-11H2,(H,16,18)
InChIKeyCJQWSGFGALXHFE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.72
Rot. Bonds5

About N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide

N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide (PubChem CID 66348936) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
PubChem CID66348936
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(CO)c1)NC1CCCCC1
InChIInChI=1S/C15H21NO2S/c17-10-12-5-4-8-14(9-12)19-11-15(18)16-13-6-2-1-3-7-13/h4-5,8-9,13,17H,1-3,6-7,10-11H2,(H,16,18)
InChIKeyCJQWSGFGALXHFE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide (CID 66348936) is N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(CO)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide?
The InChIKey is CJQWSGFGALXHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-10-12-5-4-8-14(9-12)19-11-15(18)16-13-6-2-1-3-7-13/h4-5,8-9,13,17H,1-3,6-7,10-11H2,(H,16,18).
What are the key properties of N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide?
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide has a molecular weight of 279.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 66348936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).