2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone

C19H23NOS — CID 169145096

IUPAC2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone
SMILESCS(CC(=O)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18/h2-7,9-12,18,20H,8,13-15H2,1H3
InChIKeyMZBJQORQNFFHMV-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.86
Rot. Bonds5

About 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone

2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone (PubChem CID 169145096) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone
PubChem CID169145096
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone
SMILESCS(CC(=O)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18/h2-7,9-12,18,20H,8,13-15H2,1H3
InChIKeyMZBJQORQNFFHMV-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzenesulfonyl pyrrolidine-2-carboxylate
CID 54547864
N-(benzenesulfonyl)benzenesulfonamide;tert-butyl pyrrolidine-2-carboxylate
CID 74764862
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
phenyl(piperidin-2-yl)methanone
CID 19772085
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-phenyl-1-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 160707821

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone (CID 169145096) is 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone is CS(CC(=O)C1CCCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone?
The InChIKey is MZBJQORQNFFHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18/h2-7,9-12,18,20H,8,13-15H2,1H3.
What are the key properties of 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone?
2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone has a molecular weight of 313.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 169145096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).