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

C12H19N3O4S — CID 62063148

IUPAC1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(11(16)17)6-4-3-5-7-12/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyJQLGIKXENIFHAF-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.79
Rot. Bonds4

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

1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 62063148) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID62063148
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(11(16)17)6-4-3-5-7-12/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyJQLGIKXENIFHAF-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 62063148) is 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1nc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cn1C.
What is the InChIKey of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JQLGIKXENIFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-13-10(8-15(9)2)20(18,19)14-12(11(16)17)6-4-3-5-7-12/h8,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62063148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).