1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H15N3O4S — CID 63033046

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)O)C2)cn1C
InChIInChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-4-3-8(5-13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyXOWMFVTYMINSSU-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.18
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63033046) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63033046
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)O)C2)cn1C
InChIInChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-4-3-8(5-13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyXOWMFVTYMINSSU-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105659
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]propanoic acid
CID 62062092
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 49320695
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
(2,4-dimethylphenyl) 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 49318543
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779338

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63033046) is 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is Cc1nc(S(=O)(=O)N2CCC(C(=O)O)C2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is XOWMFVTYMINSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-11-9(6-12(7)2)18(16,17)13-4-3-8(5-13)10(14)15/h6,8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63033046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).