1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

C11H20N4O3S — CID 3071470

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C11H20N4O3S/c1-14-9-11(12-10-14)19(16,17)13-3-2-4-15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3
InChIKeyKCWIXYBVHBWUJO-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.58
Rot. Bonds6

About 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (PubChem CID 3071470) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
PubChem CID3071470
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C11H20N4O3S/c1-14-9-11(12-10-14)19(16,17)13-3-2-4-15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3
InChIKeyKCWIXYBVHBWUJO-UHFFFAOYSA-N
XLogP-0.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
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 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (CID 3071470) is 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The InChIKey is KCWIXYBVHBWUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-14-9-11(12-10-14)19(16,17)13-3-2-4-15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 3071470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).