1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide

C12H22N4O2S — CID 79043531

IUPAC1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCNC2C)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-16-8-12(14-10(16)3)19(17,18)15-11-6-5-7-13-9(11)2/h8-9,11,13,15H,4-7H2,1-3H3
InChIKeyUVZWFDLKGOMRJD-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.63
Rot. Bonds4

About 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide

1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide (PubChem CID 79043531) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
PubChem CID79043531
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCNC2C)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-16-8-12(14-10(16)3)19(17,18)15-11-6-5-7-13-9(11)2/h8-9,11,13,15H,4-7H2,1-3H3
InChIKeyUVZWFDLKGOMRJD-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
CID 136533396
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 120876643
1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
CID 62065886
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63044572
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
CID 120876611
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide (CID 79043531) is 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCNC2C)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide?
The InChIKey is UVZWFDLKGOMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-16-8-12(14-10(16)3)19(17,18)15-11-6-5-7-13-9(11)2/h8-9,11,13,15H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 79043531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).