N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide

C12H22N4O2S — CID 55030434

IUPACN-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2(N)CCCCC2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-10-15-11(8-16(10)2)19(17,18)14-9-12(13)6-4-3-5-7-12/h8,14H,3-7,9,13H2,1-2H3
InChIKeyYYBBGRILIGOTIS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.67
Rot. Bonds4

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

N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 55030434) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID55030434
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2(N)CCCCC2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-10-15-11(8-16(10)2)19(17,18)14-9-12(13)6-4-3-5-7-12/h8,14H,3-7,9,13H2,1-2H3
InChIKeyYYBBGRILIGOTIS-UHFFFAOYSA-N
XLogP0.67
TPSA90.01 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (CID 55030434) is N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC2(N)CCCCC2)cn1C.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is YYBBGRILIGOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-15-11(8-16(10)2)19(17,18)14-9-12(13)6-4-3-5-7-12/h8,14H,3-7,9,13H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 55030434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).