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

C17H23N3O4S — CID 1093273

IUPAC(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=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/t15-/m1/s1
InChIKeyGQTWUGGTDHTKKZ-OAHLLOKOSA-N
MW365.46 g/mol
LogP0.45
Rot. Bonds3

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

(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 1093273) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID1093273
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=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/t15-/m1/s1
InChIKeyGQTWUGGTDHTKKZ-OAHLLOKOSA-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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Related Compounds

(5S)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093274
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 93059296
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 53029570
(5R)-1-(4-methylphenyl)sulfonyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93059294
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 53000554
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
(2R)-N-methyl-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93059318
(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92751777
imino-[2-[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidin-2-yl]-2-oxoethylidene]azanium
CID 44826218
(5S)-1-(benzenesulfonyl)-5-(4-cyclohexylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 92751774
(5S)-1-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 92751778

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 1093273) is (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GQTWUGGTDHTKKZ-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
(5R)-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 (5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 1093273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).