1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide

C12H22N4O2S — CID 62063852

IUPAC1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-14-12(8-16(9)3)19(17,18)15-11-6-4-10(13-2)5-7-11/h8,10-11,13,15H,4-7H2,1-3H3
InChIKeyWNGBMJKMCDLUBO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.54
Rot. Bonds4

About 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide (PubChem CID 62063852) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
PubChem CID62063852
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-14-12(8-16(9)3)19(17,18)15-11-6-4-10(13-2)5-7-11/h8,10-11,13,15H,4-7H2,1-3H3
InChIKeyWNGBMJKMCDLUBO-UHFFFAOYSA-N
XLogP0.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide (CID 62063852) is 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide is CNC1CCC(NS(=O)(=O)c2cn(C)c(C)n2)CC1.
What is the InChIKey of 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide?
The InChIKey is WNGBMJKMCDLUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-14-12(8-16(9)3)19(17,18)15-11-6-4-10(13-2)5-7-11/h8,10-11,13,15H,4-7H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide is sourced from PubChem (CID 62063852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).