(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine

C15H23NO2S — CID 101030218

IUPAC(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-6-14-7-5-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-/m1/s1
InChIKeyXEOSZLRNUREVPF-CQSZACIVSA-N
MW281.42 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine

(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 101030218) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID101030218
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-6-14-7-5-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-/m1/s1
InChIKeyXEOSZLRNUREVPF-CQSZACIVSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate
CID 59042580
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride
CID 11121973
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
(2S)-2-(azidomethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 23986304
1-(4-methylphenyl)sulfonyl-2-[2-[2-[1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]ethyl]azetidine
CID 165355383
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl propanoate
CID 140981307
2-butyl-1-(4-methylphenyl)sulfonylaziridine;hex-1-ene
CID 157340233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 101030218) is (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine is CCCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is XEOSZLRNUREVPF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-6-14-7-5-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 281.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 101030218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).