2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide

C14H20N2OS — CID 82177014

IUPAC2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H20N2OS/c1-10-3-5-13(6-4-10)18-11(2)14(17)16-12-7-8-15-9-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyKRIZAHBOYFJXMV-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide

2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 82177014) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
PubChem CID82177014
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H20N2OS/c1-10-3-5-13(6-4-10)18-11(2)14(17)16-12-7-8-15-9-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyKRIZAHBOYFJXMV-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
CID 119425787
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea
CID 9428877
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide (CID 82177014) is 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide is Cc1ccc(SC(C)C(=O)NC2CCNC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is KRIZAHBOYFJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-3-5-13(6-4-10)18-11(2)14(17)16-12-7-8-15-9-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 82177014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).