(3R)-3-(4-methylphenyl)sulfonylpyrrolidine

C11H15NO2S — CID 7016814

IUPAC(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)15(13,14)11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1
InChIKeyJGOXOHKKEMNLBX-LLVKDONJSA-N
MW225.31 g/mol
LogP1.13
Rot. Bonds2

About (3R)-3-(4-methylphenyl)sulfonylpyrrolidine

(3R)-3-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 7016814) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID7016814
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)15(13,14)11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1
InChIKeyJGOXOHKKEMNLBX-LLVKDONJSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
4-methylbenzenesulfonic acid;(3R)-pyrrolidin-3-ol
CID 86614635
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-piperidin-4-ylsulfonylaniline
CID 67192184
4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
CID 18538635
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
1-methyl-4-(4-methylphenyl)sulfonylpiperidine
CID 71189168
(4-piperidin-3-ylsulfonylphenyl)boronic acid
CID 90455333
5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one
CID 129388520
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3R)-3-(4-methylphenyl)sulfonylpyrrolidine (CID 7016814) is (3R)-3-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3R)-3-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is JGOXOHKKEMNLBX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)15(13,14)11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)sulfonylpyrrolidine?
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 225.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 7016814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).