N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide

C14H19NO2S — CID 106367893

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
SMILESO=C(NC1CCCCC1CO)c1ccccc1S
InChIInChI=1S/C14H19NO2S/c16-9-10-5-1-3-7-12(10)15-14(17)11-6-2-4-8-13(11)18/h2,4,6,8,10,12,16,18H,1,3,5,7,9H2,(H,15,17)
InChIKeyAKHYLIVZGBKYEK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.26
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide

N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide (PubChem CID 106367893) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
PubChem CID106367893
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
SMILESO=C(NC1CCCCC1CO)c1ccccc1S
InChIInChI=1S/C14H19NO2S/c16-9-10-5-1-3-7-12(10)15-14(17)11-6-2-4-8-13(11)18/h2,4,6,8,10,12,16,18H,1,3,5,7,9H2,(H,15,17)
InChIKeyAKHYLIVZGBKYEK-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
2-(ethylamino)-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106362523
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide (CID 106367893) is N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide is O=C(NC1CCCCC1CO)c1ccccc1S.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide?
The InChIKey is AKHYLIVZGBKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-9-10-5-1-3-7-12(10)15-14(17)11-6-2-4-8-13(11)18/h2,4,6,8,10,12,16,18H,1,3,5,7,9H2,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide is sourced from PubChem (CID 106367893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).