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

C8H16N4O3S — CID 63977550

IUPAC5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-12-6-10-7(9)8(12)16(13,14)11-4-3-5-15-2/h6,11H,3-5,9H2,1-2H3
InChIKeySHQGLMMPPRXOHM-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.68
Rot. Bonds6

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

5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63977550) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide
PubChem CID63977550
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-12-6-10-7(9)8(12)16(13,14)11-4-3-5-15-2/h6,11H,3-5,9H2,1-2H3
InChIKeySHQGLMMPPRXOHM-UHFFFAOYSA-N
XLogP-0.68
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
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-methoxypropyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide (CID 63977550) is 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide is COCCCNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is SHQGLMMPPRXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-12-6-10-7(9)8(12)16(13,14)11-4-3-5-15-2/h6,11H,3-5,9H2,1-2H3.
What are the key properties of 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxypropyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63977550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).