(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide

C15H17N3O4S — CID 98856378

IUPAC(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc2cccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(N)=O)c2n1
InChIInChI=1S/C15H17N3O4S/c1-9-5-6-10-3-2-4-13(14(10)17-9)23(21,22)18-8-11(19)7-12(18)15(16)20/h2-6,11-12,19H,7-8H2,1H3,(H2,16,20)/t11-,12+/m1/s1
InChIKeyNTLUGGLRCOSDER-NEPJUHHUSA-N
MW335.39 g/mol
LogP0.15
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 98856378) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID98856378
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc2cccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(N)=O)c2n1
InChIInChI=1S/C15H17N3O4S/c1-9-5-6-10-3-2-4-13(14(10)17-9)23(21,22)18-8-11(19)7-12(18)15(16)20/h2-6,11-12,19H,7-8H2,1H3,(H2,16,20)/t11-,12+/m1/s1
InChIKeyNTLUGGLRCOSDER-NEPJUHHUSA-N
XLogP0.15
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
CID 132971759
(2S,4S)-1-(3-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713710
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 4071729
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61047580
2-methyl-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]sulfonylquinoline
CID 71973562
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
CID 97244895
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 116530113

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide (CID 98856378) is (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc2cccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(N)=O)c2n1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is NTLUGGLRCOSDER-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-5-6-10-3-2-4-13(14(10)17-9)23(21,22)18-8-11(19)7-12(18)15(16)20/h2-6,11-12,19H,7-8H2,1H3,(H2,16,20)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 98856378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).