N-cyclopent-3-en-1-yl-2-sulfanylbenzamide

C12H13NOS — CID 107035267

IUPACN-cyclopent-3-en-1-yl-2-sulfanylbenzamide
SMILESO=C(NC1CC=CC1)c1ccccc1S
InChIInChI=1S/C12H13NOS/c14-12(13-9-5-1-2-6-9)10-7-3-4-8-11(10)15/h1-4,7-9,15H,5-6H2,(H,13,14)
InChIKeyCGFPWZBDMHKIQH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.42
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2-sulfanylbenzamide

N-cyclopent-3-en-1-yl-2-sulfanylbenzamide (PubChem CID 107035267) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-sulfanylbenzamide
PubChem CID107035267
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-cyclopent-3-en-1-yl-2-sulfanylbenzamide
SMILESO=C(NC1CC=CC1)c1ccccc1S
InChIInChI=1S/C12H13NOS/c14-12(13-9-5-1-2-6-9)10-7-3-4-8-11(10)15/h1-4,7-9,15H,5-6H2,(H,13,14)
InChIKeyCGFPWZBDMHKIQH-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-sulfanylbenzamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-sulfanylbenzamide (CID 107035267) is N-cyclopent-3-en-1-yl-2-sulfanylbenzamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-sulfanylbenzamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-sulfanylbenzamide is O=C(NC1CC=CC1)c1ccccc1S.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-sulfanylbenzamide?
The InChIKey is CGFPWZBDMHKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c14-12(13-9-5-1-2-6-9)10-7-3-4-8-11(10)15/h1-4,7-9,15H,5-6H2,(H,13,14).
What are the key properties of N-cyclopent-3-en-1-yl-2-sulfanylbenzamide?
N-cyclopent-3-en-1-yl-2-sulfanylbenzamide has a molecular weight of 219.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-sulfanylbenzamide is sourced from PubChem (CID 107035267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).