3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide

C16H24N2OS — CID 22717759

IUPAC3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
SMILESCSC(CC(=O)NCCc1ccccc1)C1CCCN1
InChIInChI=1S/C16H24N2OS/c1-20-15(14-8-5-10-17-14)12-16(19)18-11-9-13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-12H2,1H3,(H,18,19)
InChIKeyTYYDTQCOGPENIP-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.22
Rot. Bonds7

About 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide

3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide (PubChem CID 22717759) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
PubChem CID22717759
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
SMILESCSC(CC(=O)NCCc1ccccc1)C1CCCN1
InChIInChI=1S/C16H24N2OS/c1-20-15(14-8-5-10-17-14)12-16(19)18-11-9-13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-12H2,1H3,(H,18,19)
InChIKeyTYYDTQCOGPENIP-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
CID 22717775
3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylbutanamide
CID 91524936
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
benzyl 2-methyl-3-methylsulfanyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 141143139
2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
CID 67003274
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
tert-butyl 2-[1-ethylsulfanyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidine-1-carboxylate
CID 22717788

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide (CID 22717759) is 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide is CSC(CC(=O)NCCc1ccccc1)C1CCCN1.
What is the InChIKey of 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The InChIKey is TYYDTQCOGPENIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-20-15(14-8-5-10-17-14)12-16(19)18-11-9-13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-12H2,1H3,(H,18,19).
What are the key properties of 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 22717759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).