(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine

C15H22ClNO2S — CID 97332250

IUPAC(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
SMILESCC(C)(CN1CCC[C@@H]1c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)11-17-9-5-8-14(17)12-6-4-7-13(16)10-12/h4,6-7,10,14H,5,8-9,11H2,1-3H3/t14-/m1/s1
InChIKeyQDZYELTXGZVMDS-CQSZACIVSA-N
MW315.87 g/mol
LogP3.30
Rot. Bonds4

About (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine

(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine (PubChem CID 97332250) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
PubChem CID97332250
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
SMILESCC(C)(CN1CCC[C@@H]1c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)11-17-9-5-8-14(17)12-6-4-7-13(16)10-12/h4,6-7,10,14H,5,8-9,11H2,1-3H3/t14-/m1/s1
InChIKeyQDZYELTXGZVMDS-CQSZACIVSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
CID 157382871
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
CID 61384264
2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
CID 138014984
3-[[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole
CID 129367242
2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60503183
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-2-ol
CID 110932472
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The IUPAC name of (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine (CID 97332250) is (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine is CC(C)(CN1CCC[C@@H]1c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The InChIKey is QDZYELTXGZVMDS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)11-17-9-5-8-14(17)12-6-4-7-13(16)10-12/h4,6-7,10,14H,5,8-9,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine has a molecular weight of 315.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 97332250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).