N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide

C11H20N4O2S — CID 62063676

IUPACN-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(N)CC2)cn1C
InChIInChI=1S/C11H20N4O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-9(12)4-6-10/h7,9-10,14H,3-6,12H2,1-2H3
InChIKeyVGJHHBRGHRZCIS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.28
Rot. Bonds3

About N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62063676) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62063676
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(N)CC2)cn1C
InChIInChI=1S/C11H20N4O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-9(12)4-6-10/h7,9-10,14H,3-6,12H2,1-2H3
InChIKeyVGJHHBRGHRZCIS-UHFFFAOYSA-N
XLogP0.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062084
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62320919
1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
CID 62065886
N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 113283535

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide (CID 62063676) is N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCC(N)CC2)cn1C.
What is the InChIKey of N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is VGJHHBRGHRZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-13-11(7-15(8)2)18(16,17)14-10-5-3-9(12)4-6-10/h7,9-10,14H,3-6,12H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62063676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).