1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride

C8H17ClN4O2S — CID 18961157

IUPAC1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cn(C)cn1.Cl
InChIInChI=1S/C8H16N4O2S.ClH/c1-9-4-3-5-11-15(13,14)8-6-12(2)7-10-8;/h6-7,9,11H,3-5H2,1-2H3;1H
InChIKeyWKKWLMHIVTUEQR-UHFFFAOYSA-N
MW268.77 g/mol
LogP-0.27
Rot. Bonds6

About 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride

1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride (PubChem CID 18961157) has the molecular formula C8H17ClN4O2S and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
PubChem CID18961157
Molecular FormulaC8H17ClN4O2S
Molecular Weight268.77 g/mol
Exact Mass268.08
IUPAC Name1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cn(C)cn1.Cl
InChIInChI=1S/C8H16N4O2S.ClH/c1-9-4-3-5-11-15(13,14)8-6-12(2)7-10-8;/h6-7,9,11H,3-5H2,1-2H3;1H
InChIKeyWKKWLMHIVTUEQR-UHFFFAOYSA-N
XLogP-0.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride (CID 18961157) is 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1cn(C)cn1.Cl.
What is the InChIKey of 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride?
The InChIKey is WKKWLMHIVTUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S.ClH/c1-9-4-3-5-11-15(13,14)8-6-12(2)7-10-8;/h6-7,9,11H,3-5H2,1-2H3;1H.
What are the key properties of 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride?
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 18961157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).