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

C22H31N3O4S — CID 93059296

IUPAC(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O4S/c1-17-5-7-19(8-6-17)30(28,29)25-20(9-10-21(25)26)22(27)24-15-11-18(12-16-24)23-13-3-2-4-14-23/h5-8,18,20H,2-4,9-16H2,1H3/t20-/m1/s1
InChIKeyTUXMXXGZPIANSU-HXUWFJFHSA-N
MW433.57 g/mol
LogP2.15
Rot. Bonds4

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

(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 93059296) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID93059296
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O4S/c1-17-5-7-19(8-6-17)30(28,29)25-20(9-10-21(25)26)22(27)24-15-11-18(12-16-24)23-13-3-2-4-14-23/h5-8,18,20H,2-4,9-16H2,1H3/t20-/m1/s1
InChIKeyTUXMXXGZPIANSU-HXUWFJFHSA-N
XLogP2.15
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-1-(3,4-dimethylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 93059375
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093273
(5S)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093274
(5S)-1-(benzenesulfonyl)-5-(4-cyclohexylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 92751774
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
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 53000554
(2R)-N-methyl-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93059318
1-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 134070265
imino-[2-[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidin-2-yl]-2-oxoethylidene]azanium
CID 44826218
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 93059296) is (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is TUXMXXGZPIANSU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-17-5-7-19(8-6-17)30(28,29)25-20(9-10-21(25)26)22(27)24-15-11-18(12-16-24)23-13-3-2-4-14-23/h5-8,18,20H,2-4,9-16H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 433.57 g/mol, XLogP of 2.15, 4 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-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 93059296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).