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

C13H21N3O4S — CID 79525732

IUPAC4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cn1C
InChIInChI=1S/C13H21N3O4S/c1-9-15-12(8-16(9)2)21(19,20)14-7-10-3-5-11(6-4-10)13(17)18/h8,10-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyVWIZMEDTYIWFDL-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.90
Rot. Bonds5

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

4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525732) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525732
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cn1C
InChIInChI=1S/C13H21N3O4S/c1-9-15-12(8-16(9)2)21(19,20)14-7-10-3-5-11(6-4-10)13(17)18/h8,10-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyVWIZMEDTYIWFDL-UHFFFAOYSA-N
XLogP0.90
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 114148149
1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
CID 126916698
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
CID 119545803
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640
1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129341366
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466031

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 79525732) is 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is Cc1nc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cn1C.
What is the InChIKey of 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VWIZMEDTYIWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-15-12(8-16(9)2)21(19,20)14-7-10-3-5-11(6-4-10)13(17)18/h8,10-11,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).