(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone

C20H23NO2S — CID 71998180

IUPAC(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
SMILESCC(C)S(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(2)24(23)19-10-8-17(9-11-19)20(22)21-13-12-18(14-21)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3
InChIKeyCVESMDYFOSYDCK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.83
Rot. Bonds4

About (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone

(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone (PubChem CID 71998180) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
PubChem CID71998180
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
SMILESCC(C)S(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(2)24(23)19-10-8-17(9-11-19)20(22)21-13-12-18(14-21)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3
InChIKeyCVESMDYFOSYDCK-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone (CID 71998180) is (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone is CC(C)S(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone?
The InChIKey is CVESMDYFOSYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(2)24(23)19-10-8-17(9-11-19)20(22)21-13-12-18(14-21)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3.
What are the key properties of (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone?
(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone has a molecular weight of 341.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone is sourced from PubChem (CID 71998180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).