N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide

C12H23N3O3S — CID 103835178

IUPACN-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H23N3O3S/c1-5-10(6-2)11(16)7-13-19(17,18)12-8-15(4)9(3)14-12/h8,10-11,13,16H,5-7H2,1-4H3
InChIKeyNICCWBNDFQSIEV-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.80
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 103835178) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID103835178
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H23N3O3S/c1-5-10(6-2)11(16)7-13-19(17,18)12-8-15(4)9(3)14-12/h8,10-11,13,16H,5-7H2,1-4H3
InChIKeyNICCWBNDFQSIEV-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide (CID 103835178) is N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is NICCWBNDFQSIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-5-10(6-2)11(16)7-13-19(17,18)12-8-15(4)9(3)14-12/h8,10-11,13,16H,5-7H2,1-4H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 103835178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).