3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

C15H21N3O3S — CID 91925822

IUPAC3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C15H21N3O3S/c1-16-8-7-14(15(16)19)17-9-11-18(12-10-17)22(20,21)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyFBDJRTGPLRVPFG-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.22
Rot. Bonds3

About 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 91925822) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID91925822
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C15H21N3O3S/c1-16-8-7-14(15(16)19)17-9-11-18(12-10-17)22(20,21)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyFBDJRTGPLRVPFG-UHFFFAOYSA-N
XLogP0.22
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91913082
(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]oxolan-2-one
CID 27454278
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one
CID 2091886
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913089
7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162792955
1-(3-methylbutyl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 91925893
3-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913096
1-(benzenesulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;oxalic acid
CID 126477281
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (CID 91925822) is 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is FBDJRTGPLRVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-16-8-7-14(15(16)19)17-9-11-18(12-10-17)22(20,21)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91925822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).