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

C7H14N4O3S — CID 63977743

IUPAC5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-5(12)3-10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3
InChIKeyNCNFTNCDFQCBGH-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.34
Rot. Bonds4

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

5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63977743) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide
PubChem CID63977743
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-5(12)3-10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3
InChIKeyNCNFTNCDFQCBGH-UHFFFAOYSA-N
XLogP-1.34
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.34
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-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide (CID 63977743) is 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide is CC(O)CNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is NCNFTNCDFQCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-5(12)3-10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3.
What are the key properties of 5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2-hydroxypropyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -1.34, 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-hydroxypropyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).