[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone

C19H20BrNO2S — CID 95140060

IUPAC[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
SMILESC[S@@](=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1
InChIInChI=1S/C19H20BrNO2S/c1-24(23)13-14-5-2-7-16(11-14)19(22)21-10-4-9-18(21)15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-,24-/m1/s1
InChIKeyLOYHGSURUCAZIL-HOYKHHGWSA-N
MW406.35 g/mol
LogP4.30
Rot. Bonds4

About [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone

[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone (PubChem CID 95140060) has the molecular formula C19H20BrNO2S and a molecular weight of 406.35 g/mol. Its IUPAC name is [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
PubChem CID95140060
Molecular FormulaC19H20BrNO2S
Molecular Weight406.35 g/mol
Exact Mass405.04
IUPAC Name[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
SMILESC[S@@](=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1
InChIInChI=1S/C19H20BrNO2S/c1-24(23)13-14-5-2-7-16(11-14)19(22)21-10-4-9-18(21)15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-,24-/m1/s1
InChIKeyLOYHGSURUCAZIL-HOYKHHGWSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone 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

[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 95140063
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(2S)-1-[3-(methylsulfinylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365189
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
[2-(3-bromophenyl)pyrrolidin-1-yl]-(2-ethoxy-4-pyridinyl)methanone
CID 86968098
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
1-[2-(3-bromophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876524
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The IUPAC name of [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone (CID 95140060) is [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The canonical SMILES for [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone is C[S@@](=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1.
What is the InChIKey of [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The InChIKey is LOYHGSURUCAZIL-HOYKHHGWSA-N. The full InChI is InChI=1S/C19H20BrNO2S/c1-24(23)13-14-5-2-7-16(11-14)19(22)21-10-4-9-18(21)15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-,24-/m1/s1.
What are the key properties of [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone has a molecular weight of 406.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone is sourced from PubChem (CID 95140060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).