5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide

C6H12N4O3S — CID 63977552

IUPAC5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCO
InChIInChI=1S/C6H12N4O3S/c1-10-4-8-5(7)6(10)14(12,13)9-2-3-11/h4,9,11H,2-3,7H2,1H3
InChIKeyCUEIUSDETUITJO-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.73
Rot. Bonds4

About 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63977552) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
PubChem CID63977552
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCO
InChIInChI=1S/C6H12N4O3S/c1-10-4-8-5(7)6(10)14(12,13)9-2-3-11/h4,9,11H,2-3,7H2,1H3
InChIKeyCUEIUSDETUITJO-UHFFFAOYSA-N
XLogP-1.73
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide (CID 63977552) is 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCCO.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is CUEIUSDETUITJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-10-4-8-5(7)6(10)14(12,13)9-2-3-11/h4,9,11H,2-3,7H2,1H3.
What are the key properties of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).