N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide

C14H18N2O2S — CID 71789156

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide
SMILESCN1CC(NC(=O)CCSc2ccccc2)CC1=O
InChIInChI=1S/C14H18N2O2S/c1-16-10-11(9-14(16)18)15-13(17)7-8-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)
InChIKeyOUFIBXCGCUTGDS-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.52
Rot. Bonds5

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide (PubChem CID 71789156) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide
PubChem CID71789156
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide
SMILESCN1CC(NC(=O)CCSc2ccccc2)CC1=O
InChIInChI=1S/C14H18N2O2S/c1-16-10-11(9-14(16)18)15-13(17)7-8-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)
InChIKeyOUFIBXCGCUTGDS-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide (CID 71789156) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide is CN1CC(NC(=O)CCSc2ccccc2)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide?
The InChIKey is OUFIBXCGCUTGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16-10-11(9-14(16)18)15-13(17)7-8-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71789156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).