N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide

C14H18N2O2S — CID 107034732

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C14H18N2O2S/c17-13(16-9-1-2-10-16)7-8-15-14(18)11-3-5-12(19)6-4-11/h3-6,19H,1-2,7-10H2,(H,15,18)
InChIKeyKCDDONHQQYHUQF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.72
Rot. Bonds4

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide (PubChem CID 107034732) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
PubChem CID107034732
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccc(S)cc1
InChIInChI=1S/C14H18N2O2S/c17-13(16-9-1-2-10-16)7-8-15-14(18)11-3-5-12(19)6-4-11/h3-6,19H,1-2,7-10H2,(H,15,18)
InChIKeyKCDDONHQQYHUQF-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034729
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034736
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 9453861

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide (CID 107034732) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide is O=C(NCCC(=O)N1CCCC1)c1ccc(S)cc1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide?
The InChIKey is KCDDONHQQYHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(16-9-1-2-10-16)7-8-15-14(18)11-3-5-12(19)6-4-11/h3-6,19H,1-2,7-10H2,(H,15,18).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide has a molecular weight of 278.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107034732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).