1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide

C11H20N4O3S — CID 3071458

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide
SMILESCn1ccnc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-14-6-4-12-11(14)19(16,17)13-3-2-5-15-7-9-18-10-8-15/h4,6,13H,2-3,5,7-10H2,1H3
InChIKeyWXHJKJBNMHLNRL-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.58
Rot. Bonds6

About 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide

1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide (PubChem CID 3071458) 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-2-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide
PubChem CID3071458
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide
SMILESCn1ccnc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-14-6-4-12-11(14)19(16,17)13-3-2-5-15-7-9-18-10-8-15/h4,6,13H,2-3,5,7-10H2,1H3
InChIKeyWXHJKJBNMHLNRL-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-2-sulfonamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide (CID 3071458) is 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide is Cn1ccnc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide?
The InChIKey is WXHJKJBNMHLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-14-6-4-12-11(14)19(16,17)13-3-2-5-15-7-9-18-10-8-15/h4,6,13H,2-3,5,7-10H2,1H3.
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide?
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-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-2-sulfonamide is sourced from PubChem (CID 3071458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).