5-amino-N-ethyl-3-methylimidazole-4-sulfonamide

C6H12N4O2S — CID 63977516

IUPAC5-amino-N-ethyl-3-methylimidazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C6H12N4O2S/c1-3-9-13(11,12)6-5(7)8-4-10(6)2/h4,9H,3,7H2,1-2H3
InChIKeyXDBVUKJJBZSOHG-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.70
Rot. Bonds3

About 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide

5-amino-N-ethyl-3-methylimidazole-4-sulfonamide (PubChem CID 63977516) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-3-methylimidazole-4-sulfonamide
PubChem CID63977516
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC Name5-amino-N-ethyl-3-methylimidazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C6H12N4O2S/c1-3-9-13(11,12)6-5(7)8-4-10(6)2/h4,9H,3,7H2,1-2H3
InChIKeyXDBVUKJJBZSOHG-UHFFFAOYSA-N
XLogP-0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide (CID 63977516) is 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide is CCNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide?
The InChIKey is XDBVUKJJBZSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-3-9-13(11,12)6-5(7)8-4-10(6)2/h4,9H,3,7H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide?
5-amino-N-ethyl-3-methylimidazole-4-sulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).