N-cyclopentyl-4-sulfanylbenzamide

C12H15NOS — CID 71194494

IUPACN-cyclopentyl-4-sulfanylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C12H15NOS/c14-12(13-10-3-1-2-4-10)9-5-7-11(15)8-6-9/h5-8,10,15H,1-4H2,(H,13,14)
InChIKeyJRNRVVODRZZHRE-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.65
Rot. Bonds2

About N-cyclopentyl-4-sulfanylbenzamide

N-cyclopentyl-4-sulfanylbenzamide (PubChem CID 71194494) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopentyl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-sulfanylbenzamide
PubChem CID71194494
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-cyclopentyl-4-sulfanylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C12H15NOS/c14-12(13-10-3-1-2-4-10)9-5-7-11(15)8-6-9/h5-8,10,15H,1-4H2,(H,13,14)
InChIKeyJRNRVVODRZZHRE-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.65
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-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclopentyl-6-(cyclopentylamino)pyridin-1-ium-3-carboxamide
CID 7130484
N-cyclohexylpyridine-4-carboxamide
CID 3436730
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-sulfanylbenzamide?
The IUPAC name of N-cyclopentyl-4-sulfanylbenzamide (CID 71194494) is N-cyclopentyl-4-sulfanylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-sulfanylbenzamide?
The canonical SMILES for N-cyclopentyl-4-sulfanylbenzamide is O=C(NC1CCCC1)c1ccc(S)cc1.
What is the InChIKey of N-cyclopentyl-4-sulfanylbenzamide?
The InChIKey is JRNRVVODRZZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(13-10-3-1-2-4-10)9-5-7-11(15)8-6-9/h5-8,10,15H,1-4H2,(H,13,14).
What are the key properties of N-cyclopentyl-4-sulfanylbenzamide?
N-cyclopentyl-4-sulfanylbenzamide has a molecular weight of 221.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-sulfanylbenzamide is sourced from PubChem (CID 71194494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).