1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine

C14H21NO2S — CID 134383141

IUPAC1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
SMILESCCC(C)C1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-3-12(2)13-9-10-15(11-13)18(16,17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3
InChIKeyZOGRHNIQLZLNSL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds4

About 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine

1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine (PubChem CID 134383141) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
PubChem CID134383141
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
SMILESCCC(C)C1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-3-12(2)13-9-10-15(11-13)18(16,17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3
InChIKeyZOGRHNIQLZLNSL-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine 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

(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-(benzenesulfonyl)-4-[(2S)-butan-2-yl]piperazin-4-ium
CID 6948505
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
1-(benzenesulfonyl)-3-bromo-4-methylpiperidine
CID 102962655
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine?
The IUPAC name of 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine (CID 134383141) is 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine is CCC(C)C1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine?
The InChIKey is ZOGRHNIQLZLNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-12(2)13-9-10-15(11-13)18(16,17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine?
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine is sourced from PubChem (CID 134383141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).