(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C12H16N2O3S — CID 975602

IUPAC(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-8-2-3-11(14)12(13)15/h4-7,11H,2-3,8H2,1H3,(H2,13,15)/t11-/m0/s1
InChIKeyYDHWEEPSGQVJGO-NSHDSACASA-N
MW268.34 g/mol
LogP0.63
Rot. Bonds3

About (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 975602) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID975602
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-8-2-3-11(14)12(13)15/h4-7,11H,2-3,8H2,1H3,(H2,13,15)/t11-/m0/s1
InChIKeyYDHWEEPSGQVJGO-NSHDSACASA-N
XLogP0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 975602) is (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is YDHWEEPSGQVJGO-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-8-2-3-11(14)12(13)15/h4-7,11H,2-3,8H2,1H3,(H2,13,15)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 975602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).