1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone

C20H23NOS — CID 163300865

IUPAC1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone
SMILESC[C@@](S)(c1ccccc1)[C@@H]1CCCN1CC(=O)c1ccccc1
InChIInChI=1S/C20H23NOS/c1-20(23,17-11-6-3-7-12-17)19-13-8-14-21(19)15-18(22)16-9-4-2-5-10-16/h2-7,9-12,19,23H,8,13-15H2,1H3/t19-,20+/m0/s1
InChIKeyQROFDUZKUYRZES-VQTJNVASSA-N
MW325.48 g/mol
LogP4.18
Rot. Bonds5

About 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone

1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone (PubChem CID 163300865) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone
PubChem CID163300865
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone
SMILESC[C@@](S)(c1ccccc1)[C@@H]1CCCN1CC(=O)c1ccccc1
InChIInChI=1S/C20H23NOS/c1-20(23,17-11-6-3-7-12-17)19-13-8-14-21(19)15-18(22)16-9-4-2-5-10-16/h2-7,9-12,19,23H,8,13-15H2,1H3/t19-,20+/m0/s1
InChIKeyQROFDUZKUYRZES-VQTJNVASSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
CID 139629640
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-phenacylpiperidine-2-carboxamide
CID 60681003
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
(2S)-1-phenacylpyrrolidine-2-carboximidamide
CID 58516261
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 18423529
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 139629637

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone (CID 163300865) is 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone is C[C@@](S)(c1ccccc1)[C@@H]1CCCN1CC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is QROFDUZKUYRZES-VQTJNVASSA-N. The full InChI is InChI=1S/C20H23NOS/c1-20(23,17-11-6-3-7-12-17)19-13-8-14-21(19)15-18(22)16-9-4-2-5-10-16/h2-7,9-12,19,23H,8,13-15H2,1H3/t19-,20+/m0/s1.
What are the key properties of 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone?
1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 325.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 163300865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).