5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide

C8H16N4O3S — CID 63977556

IUPAC5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H16N4O3S/c1-8(2,4-13)11-16(14,15)7-6(9)10-5-12(7)3/h5,11,13H,4,9H2,1-3H3
InChIKeyCKCYXHJIXKXOOI-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.95
Rot. Bonds4

About 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide

5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide (PubChem CID 63977556) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide
PubChem CID63977556
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H16N4O3S/c1-8(2,4-13)11-16(14,15)7-6(9)10-5-12(7)3/h5,11,13H,4,9H2,1-3H3
InChIKeyCKCYXHJIXKXOOI-UHFFFAOYSA-N
XLogP-0.95
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide (CID 63977556) is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide?
The InChIKey is CKCYXHJIXKXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-8(2,4-13)11-16(14,15)7-6(9)10-5-12(7)3/h5,11,13H,4,9H2,1-3H3.
What are the key properties of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).