N-(cyclopentylmethyl)-4-sulfanylbenzamide

C13H17NOS — CID 107022611

IUPACN-(cyclopentylmethyl)-4-sulfanylbenzamide
SMILESO=C(NCC1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C13H17NOS/c15-13(11-5-7-12(16)8-6-11)14-9-10-3-1-2-4-10/h5-8,10,16H,1-4,9H2,(H,14,15)
InChIKeyLFHMVXNUHRAQPY-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.90
Rot. Bonds3

About N-(cyclopentylmethyl)-4-sulfanylbenzamide

N-(cyclopentylmethyl)-4-sulfanylbenzamide (PubChem CID 107022611) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-sulfanylbenzamide
PubChem CID107022611
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(cyclopentylmethyl)-4-sulfanylbenzamide
SMILESO=C(NCC1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C13H17NOS/c15-13(11-5-7-12(16)8-6-11)14-9-10-3-1-2-4-10/h5-8,10,16H,1-4,9H2,(H,14,15)
InChIKeyLFHMVXNUHRAQPY-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.90
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

N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
[4-(cyclohexylmethylcarbamoyl)phenyl]boronic acid
CID 71430774
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
CID 55835118
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-sulfanylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-4-sulfanylbenzamide (CID 107022611) is N-(cyclopentylmethyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-sulfanylbenzamide is O=C(NCC1CCCC1)c1ccc(S)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-sulfanylbenzamide?
The InChIKey is LFHMVXNUHRAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(11-5-7-12(16)8-6-11)14-9-10-3-1-2-4-10/h5-8,10,16H,1-4,9H2,(H,14,15).
What are the key properties of N-(cyclopentylmethyl)-4-sulfanylbenzamide?
N-(cyclopentylmethyl)-4-sulfanylbenzamide has a molecular weight of 235.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107022611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).