1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C15H21N3O3S — CID 9292872

IUPAC1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C15H21N3O3S/c1-16-9-11-17(12-10-16)22(20,21)14-6-4-13(5-7-14)18-8-2-3-15(18)19/h4-7H,2-3,8-12H2,1H3
InChIKeySQMRKIBZXDTLTG-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.75
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 9292872) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID9292872
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C15H21N3O3S/c1-16-9-11-17(12-10-16)22(20,21)14-6-4-13(5-7-14)18-8-2-3-15(18)19/h4-7H,2-3,8-12H2,1H3
InChIKeySQMRKIBZXDTLTG-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110818526
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 29105012
1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 146022754
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-5-one
CID 110727957
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 46557463
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
methyl 4-[[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate
CID 19614455
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrrolidin-2-one
CID 144718522
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 9292872) is 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one is CN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is SQMRKIBZXDTLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-16-9-11-17(12-10-16)22(20,21)14-6-4-13(5-7-14)18-8-2-3-15(18)19/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 9292872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).