(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide

C15H22N2O3S — CID 2392292

IUPAC(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyJXVSPFVRAXMZMW-CYBMUJFWSA-N
MW310.42 g/mol
LogP1.62
Rot. Bonds3

About (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2392292) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2392292
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyJXVSPFVRAXMZMW-CYBMUJFWSA-N
XLogP1.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 167345359
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
(2S)-1-[4-(1-adamantyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 7232966
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60583832
1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170990
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2392292) is (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1.
What is the InChIKey of (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JXVSPFVRAXMZMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18)/t13-/m1/s1.
What are the key properties of (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2392292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).