2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C12H19N3O4S — CID 64816640

IUPAC2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2CCCCC2C(=O)O)cn1C
InChIInChI=1S/C12H19N3O4S/c1-8-13-11(7-15(8)2)20(18,19)14-10-6-4-3-5-9(10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyRAIMPLADLQBIOV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.65
Rot. Bonds4

About 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64816640) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64816640
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2CCCCC2C(=O)O)cn1C
InChIInChI=1S/C12H19N3O4S/c1-8-13-11(7-15(8)2)20(18,19)14-10-6-4-3-5-9(10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyRAIMPLADLQBIOV-UHFFFAOYSA-N
XLogP0.65
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64816640) is 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1nc(S(=O)(=O)NC2CCCCC2C(=O)O)cn1C.
What is the InChIKey of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RAIMPLADLQBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-13-11(7-15(8)2)20(18,19)14-10-6-4-3-5-9(10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).