5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide

C8H16N4O3S — CID 64929209

IUPAC5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-6(13)3-4-11-16(14,15)8-7(9)10-5-12(8)2/h5-6,11,13H,3-4,9H2,1-2H3
InChIKeyAZARWCLPDFURNH-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.95
Rot. Bonds5

About 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide (PubChem CID 64929209) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
PubChem CID64929209
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-6(13)3-4-11-16(14,15)8-7(9)10-5-12(8)2/h5-6,11,13H,3-4,9H2,1-2H3
InChIKeyAZARWCLPDFURNH-UHFFFAOYSA-N
XLogP-0.95
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide (CID 64929209) is 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide is CC(O)CCNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is AZARWCLPDFURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-6(13)3-4-11-16(14,15)8-7(9)10-5-12(8)2/h5-6,11,13H,3-4,9H2,1-2H3.
What are the key properties of 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 64929209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).