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

C7H14N4O3S — CID 63977551

IUPAC5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCO
InChIInChI=1S/C7H14N4O3S/c1-11-5-9-6(8)7(11)15(13,14)10-3-2-4-12/h5,10,12H,2-4,8H2,1H3
InChIKeyBACUKQHHGKOKOS-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.34
Rot. Bonds5

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

5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63977551) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
PubChem CID63977551
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCO
InChIInChI=1S/C7H14N4O3S/c1-11-5-9-6(8)7(11)15(13,14)10-3-2-4-12/h5,10,12H,2-4,8H2,1H3
InChIKeyBACUKQHHGKOKOS-UHFFFAOYSA-N
XLogP-1.34
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide (CID 63977551) is 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCCCO.
What is the InChIKey of 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is BACUKQHHGKOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-11-5-9-6(8)7(11)15(13,14)10-3-2-4-12/h5,10,12H,2-4,8H2,1H3.
What are the key properties of 5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -1.34, 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-hydroxypropyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).