2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

C10H14N2O4S2 — CID 102978186

IUPAC2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCCC2(C)C(=O)O)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-8(17-7)18(15,16)12-5-3-4-10(12,2)9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyJYZCHPABPSQJAG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.08
Rot. Bonds3

About 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (PubChem CID 102978186) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
PubChem CID102978186
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCCC2(C)C(=O)O)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-8(17-7)18(15,16)12-5-3-4-10(12,2)9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyJYZCHPABPSQJAG-UHFFFAOYSA-N
XLogP1.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 167770322
Methyl 1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 91101499
(2S)-1-(thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 118413676
methyl (2S)-1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 141377106
Methyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 43473957
Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 55006162
2-Methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
CID 103414080
(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 103414142
2-Methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 103414208
1-[(2-Methyl-1,3-thiazol-5-yl)sulfonyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103414238
2-Ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103414251
3-[(2-Methyl-1,3-thiazol-5-yl)sulfonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103414252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (CID 102978186) is 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is Cc1ncc(S(=O)(=O)N2CCCC2(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JYZCHPABPSQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-11-6-8(17-7)18(15,16)12-5-3-4-10(12,2)9(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).