(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

C15H22N2O4S — CID 126825870

IUPAC(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)17-9-11(18)8-13(17)14(16)19/h4-7,11,13,18H,8-9H2,1-3H3,(H2,16,19)/t11-,13+/m1/s1
InChIKeyVDHJAIIZYOQBLE-YPMHNXCESA-N
MW326.42 g/mol
LogP0.59
Rot. Bonds3

About (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 126825870) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID126825870
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)17-9-11(18)8-13(17)14(16)19/h4-7,11,13,18H,8-9H2,1-3H3,(H2,16,19)/t11-,13+/m1/s1
InChIKeyVDHJAIIZYOQBLE-YPMHNXCESA-N
XLogP0.59
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonylaziridine-2-carboxamide
CID 167345359
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
[(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 167986877
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952079
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
5-bromo-4-hydroxy-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 630446
ethyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10470830
1-(3-amino-4-fluoro-5-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 115421373
(1R,5S)-8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (CID 126825870) is (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is VDHJAIIZYOQBLE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)17-9-11(18)8-13(17)14(16)19/h4-7,11,13,18H,8-9H2,1-3H3,(H2,16,19)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 126825870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).