5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C17H23N3O4S — CID 42908208

IUPAC5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1C
InChIInChI=1S/C17H23N3O4S/c1-12-3-4-14(11-13(12)2)25(23,24)20-9-7-19(8-10-20)17(22)15-5-6-16(21)18-15/h3-4,11,15H,5-10H2,1-2H3,(H,18,21)
InChIKeyBYKWBAGWBZWLON-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.41
Rot. Bonds3

About 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42908208) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID42908208
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1C
InChIInChI=1S/C17H23N3O4S/c1-12-3-4-14(11-13(12)2)25(23,24)20-9-7-19(8-10-20)17(22)15-5-6-16(21)18-15/h3-4,11,15H,5-10H2,1-2H3,(H,18,21)
InChIKeyBYKWBAGWBZWLON-UHFFFAOYSA-N
XLogP0.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9369465
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617038
(1S,6R)-6-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27527252
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9299449
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255
(1S,2S,3R,4S)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18557652
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 42908208) is 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1C.
What is the InChIKey of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BYKWBAGWBZWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-3-4-14(11-13(12)2)25(23,24)20-9-7-19(8-10-20)17(22)15-5-6-16(21)18-15/h3-4,11,15H,5-10H2,1-2H3,(H,18,21).
What are the key properties of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 365.46 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42908208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).