1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide

C12H22N4O3S — CID 3078103

IUPAC1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1
InChIInChI=1S/C12H22N4O3S/c1-15-10-12(13-11-15)20(17,18)14-4-2-3-5-16-6-8-19-9-7-16/h10-11,14H,2-9H2,1H3
InChIKeySXNATBDJAMFBLG-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.19
Rot. Bonds7

About 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide

1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide (PubChem CID 3078103) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide
PubChem CID3078103
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1
InChIInChI=1S/C12H22N4O3S/c1-15-10-12(13-11-15)20(17,18)14-4-2-3-5-16-6-8-19-9-7-16/h10-11,14H,2-9H2,1H3
InChIKeySXNATBDJAMFBLG-UHFFFAOYSA-N
XLogP-0.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.19
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-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide (CID 3078103) is 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide?
The InChIKey is SXNATBDJAMFBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-15-10-12(13-11-15)20(17,18)14-4-2-3-5-16-6-8-19-9-7-16/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide?
1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide is sourced from PubChem (CID 3078103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).