3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H21N3O4S — CID 66032749

IUPAC3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NC2CCC(C(=O)O)C2)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-6-16-8-12(14-9(16)2)21(19,20)15-11-5-4-10(7-11)13(17)18/h8,10-11,15H,3-7H2,1-2H3,(H,17,18)
InChIKeyPLLLQRLXGYILSH-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.13
Rot. Bonds6

About 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032749) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66032749
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NC2CCC(C(=O)O)C2)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-6-16-8-12(14-9(16)2)21(19,20)15-11-5-4-10(7-11)13(17)18/h8,10-11,15H,3-7H2,1-2H3,(H,17,18)
InChIKeyPLLLQRLXGYILSH-UHFFFAOYSA-N
XLogP1.13
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63044572
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
CID 62065886
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 64913069
(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923251
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66032749) is 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is CCCn1cc(S(=O)(=O)NC2CCC(C(=O)O)C2)nc1C.
What is the InChIKey of 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PLLLQRLXGYILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-6-16-8-12(14-9(16)2)21(19,20)15-11-5-4-10(7-11)13(17)18/h8,10-11,15H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).