(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

C10H15N3O4S — CID 62063322

IUPAC(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cn1C
InChIInChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-5-3-4-8(13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyZUAPTCVOHGNQSH-QMMMGPOBSA-N
MW273.31 g/mol
LogP-0.03
Rot. Bonds3

About (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 62063322) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID62063322
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cn1C
InChIInChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-5-3-4-8(13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyZUAPTCVOHGNQSH-QMMMGPOBSA-N
XLogP-0.03
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 62063322) is (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is Cc1nc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cn1C.
What is the InChIKey of (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is ZUAPTCVOHGNQSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-5-3-4-8(13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62063322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).