2-(3-sulfanylcyclohexyl)benzamide

C13H17NOS — CID 166057237

IUPAC2-(3-sulfanylcyclohexyl)benzamide
SMILESNC(=O)c1ccccc1C1CCCC(S)C1
InChIInChI=1S/C13H17NOS/c14-13(15)12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-2,6-7,9-10,16H,3-5,8H2,(H2,14,15)
InChIKeyLLYSYOGZXZBSPN-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-sulfanylcyclohexyl)benzamide

2-(3-sulfanylcyclohexyl)benzamide (PubChem CID 166057237) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(3-sulfanylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(3-sulfanylcyclohexyl)benzamide
PubChem CID166057237
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-(3-sulfanylcyclohexyl)benzamide
SMILESNC(=O)c1ccccc1C1CCCC(S)C1
InChIInChI=1S/C13H17NOS/c14-13(15)12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-2,6-7,9-10,16H,3-5,8H2,(H2,14,15)
InChIKeyLLYSYOGZXZBSPN-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diaminocyclohexyl)benzamide
CID 68506787
2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 68749211
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
CID 175757308
2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide
CID 68745238
2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide
CID 152629986
[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone
CID 163782869
3-cyclohexyl-2-fluorobenzamide
CID 142776335
2-(2-aminocyclohexyl)benzamide;(Z)-but-2-enedioic acid
CID 70422160
2-cyclopentylbenzohydrazide
CID 68852694
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
3-(3-bicyclo[3.2.1]octanyl)-2-hydroxybenzamide
CID 87551117

Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanylcyclohexyl)benzamide?
The IUPAC name of 2-(3-sulfanylcyclohexyl)benzamide (CID 166057237) is 2-(3-sulfanylcyclohexyl)benzamide.
What is the SMILES notation for 2-(3-sulfanylcyclohexyl)benzamide?
The canonical SMILES for 2-(3-sulfanylcyclohexyl)benzamide is NC(=O)c1ccccc1C1CCCC(S)C1.
What is the InChIKey of 2-(3-sulfanylcyclohexyl)benzamide?
The InChIKey is LLYSYOGZXZBSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c14-13(15)12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-2,6-7,9-10,16H,3-5,8H2,(H2,14,15).
What are the key properties of 2-(3-sulfanylcyclohexyl)benzamide?
2-(3-sulfanylcyclohexyl)benzamide has a molecular weight of 235.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylcyclohexyl)benzamide is sourced from PubChem (CID 166057237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).