N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

C8H15N3O3S — CID 15100249

IUPACN-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H15N3O3S/c1-11-6-8(9-7-11)15(12,13)10-4-3-5-14-2/h6-7,10H,3-5H2,1-2H3
InChIKeyWOVMXTJSYNMUQV-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.27
Rot. Bonds6

About N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 15100249) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID15100249
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H15N3O3S/c1-11-6-8(9-7-11)15(12,13)10-4-3-5-14-2/h6-7,10H,3-5H2,1-2H3
InChIKeyWOVMXTJSYNMUQV-UHFFFAOYSA-N
XLogP-0.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
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 N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (CID 15100249) is N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is COCCCNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is WOVMXTJSYNMUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-11-6-8(9-7-11)15(12,13)10-4-3-5-14-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 15100249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).