4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine

C15H22N2O2S — CID 60978954

IUPAC4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC1C1CCNCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,14-5-2-1-3-6-14)17-12-4-7-15(17)13-8-10-16-11-9-13/h1-3,5-6,13,15-16H,4,7-12H2
InChIKeyGBUNHNCILCXQEX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.84
Rot. Bonds3

About 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine

4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 60978954) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID60978954
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC1C1CCNCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,14-5-2-1-3-6-14)17-12-4-7-15(17)13-8-10-16-11-9-13/h1-3,5-6,13,15-16H,4,7-12H2
InChIKeyGBUNHNCILCXQEX-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine 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

1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 95241513
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
1-(benzenesulfonyl)pyrrolidin-2-amine
CID 19623298
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
CID 60620481
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine (CID 60978954) is 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine is O=S(=O)(c1ccccc1)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is GBUNHNCILCXQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,14-5-2-1-3-6-14)17-12-4-7-15(17)13-8-10-16-11-9-13/h1-3,5-6,13,15-16H,4,7-12H2.
What are the key properties of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine?
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 294.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 60978954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).