(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C16H22N4O4S — CID 94671849

IUPAC(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H22N4O4S/c1-25(23,24)19-8-6-18(7-9-19)13-4-2-3-5-14(13)20-11-12(16(17)22)10-15(20)21/h2-5,12H,6-11H2,1H3,(H2,17,22)/t12-/m1/s1
InChIKeyJYTQSKVOZNDOIW-GFCCVEGCSA-N
MW366.44 g/mol
LogP-0.39
Rot. Bonds4

About (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94671849) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94671849
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H22N4O4S/c1-25(23,24)19-8-6-18(7-9-19)13-4-2-3-5-14(13)20-11-12(16(17)22)10-15(20)21/h2-5,12H,6-11H2,1H3,(H2,17,22)/t12-/m1/s1
InChIKeyJYTQSKVOZNDOIW-GFCCVEGCSA-N
XLogP-0.39
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
CID 94077588
2-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 153409878
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 168698429
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 94671849) is (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(N)=O)CC2=O)CC1.
What is the InChIKey of (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JYTQSKVOZNDOIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25(23,24)19-8-6-18(7-9-19)13-4-2-3-5-14(13)20-11-12(16(17)22)10-15(20)21/h2-5,12H,6-11H2,1H3,(H2,17,22)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94671849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).