3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H15N3O4S — CID 63149609

IUPAC3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVUVRHFRJBINEFP-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.09
Rot. Bonds3

About 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63149609) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63149609
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVUVRHFRJBINEFP-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 79373893
(3R)-1-(1-methylimidazol-4-yl)sulfonyl-3-propylpiperidine-3-carboxylic acid
CID 95017870
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149089
N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
CID 110268389
3-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 55164804
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63149609) is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is Cn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is VUVRHFRJBINEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).