2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid

C12H19N3O4S — CID 103342672

IUPAC2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1nccn1C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-14-7-6-13-11(14)8-15(2)20(18,19)10-5-3-4-9(10)12(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVIXNRGWDODAMGC-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.44
Rot. Bonds5

About 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid

2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342672) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342672
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1nccn1C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-14-7-6-13-11(14)8-15(2)20(18,19)10-5-3-4-9(10)12(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVIXNRGWDODAMGC-UHFFFAOYSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
4-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722011
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342994
2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
(2S)-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63027065
2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475
1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564234
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342672) is 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid is CN(Cc1nccn1C)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VIXNRGWDODAMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14-7-6-13-11(14)8-15(2)20(18,19)10-5-3-4-9(10)12(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).