1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide

C12H21N3O3S — CID 62065886

IUPAC1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(O)CC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-15-8-12(13-9(15)2)19(17,18)14-10-4-6-11(16)7-5-10/h8,10-11,14,16H,3-7H2,1-2H3
InChIKeyANUYIQFXZQEGKT-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.79
Rot. Bonds4

About 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide

1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide (PubChem CID 62065886) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
PubChem CID62065886
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(O)CC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-15-8-12(13-9(15)2)19(17,18)14-10-4-6-11(16)7-5-10/h8,10-11,14,16H,3-7H2,1-2H3
InChIKeyANUYIQFXZQEGKT-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63044572
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
CID 136533396
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032749
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
CID 79043531
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide (CID 62065886) is 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCC(O)CC2)nc1C.
What is the InChIKey of 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is ANUYIQFXZQEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15-8-12(13-9(15)2)19(17,18)14-10-4-6-11(16)7-5-10/h8,10-11,14,16H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62065886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).