1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H23N3O4S — CID 2956144

IUPAC1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13-3-5-14(6-4-13)25(23,24)20-15(7-8-16(20)21)17(22)19-11-9-18(2)10-12-19/h3-6,15H,7-12H2,1-2H3
InChIKeyGQTWUGGTDHTKKZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.45
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 2956144) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID2956144
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13-3-5-14(6-4-13)25(23,24)20-15(7-8-16(20)21)17(22)19-11-9-18(2)10-12-19/h3-6,15H,7-12H2,1-2H3
InChIKeyGQTWUGGTDHTKKZ-UHFFFAOYSA-N
XLogP0.45
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 2956144) is 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GQTWUGGTDHTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13-3-5-14(6-4-13)25(23,24)20-15(7-8-16(20)21)17(22)19-11-9-18(2)10-12-19/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 365.46 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 2956144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).