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

C12H22N4O3S — CID 3071451

IUPAC1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-11(8-16-3-5-19-6-4-16)7-14-20(17,18)12-9-15(2)10-13-12/h9-11,14H,3-8H2,1-2H3
InChIKeyZCVAEJVLIHTHTE-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.33
Rot. Bonds6

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

1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (PubChem CID 3071451) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
PubChem CID3071451
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-11(8-16-3-5-19-6-4-16)7-14-20(17,18)12-9-15(2)10-13-12/h9-11,14H,3-8H2,1-2H3
InChIKeyZCVAEJVLIHTHTE-UHFFFAOYSA-N
XLogP-0.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (CID 3071451) is 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is CC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1.
What is the InChIKey of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The InChIKey is ZCVAEJVLIHTHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-11(8-16-3-5-19-6-4-16)7-14-20(17,18)12-9-15(2)10-13-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 3071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).