N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide

C8H12N4O2S — CID 79373993

IUPACN-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(C)C#N)c1
InChIInChI=1S/C8H12N4O2S/c1-3-12-5-8(10-6-12)15(13,14)11-7(2)4-9/h5-7,11H,3H2,1-2H3
InChIKeyFACGMKBEVSWGFF-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.09
Rot. Bonds4

About N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide

N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79373993) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79373993
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(C)C#N)c1
InChIInChI=1S/C8H12N4O2S/c1-3-12-5-8(10-6-12)15(13,14)11-7(2)4-9/h5-7,11H,3H2,1-2H3
InChIKeyFACGMKBEVSWGFF-UHFFFAOYSA-N
XLogP0.09
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide (CID 79373993) is N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC(C)C#N)c1.
What is the InChIKey of N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is FACGMKBEVSWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3-12-5-8(10-6-12)15(13,14)11-7(2)4-9/h5-7,11H,3H2,1-2H3.
What are the key properties of N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide?
N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79373993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).