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

C12H23ClN4O3S — CID 3071450

IUPAC1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/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;1H
InChIKeyZBFHYGAKZXIZBA-UHFFFAOYSA-N
MW338.86 g/mol
LogP0.09
Rot. Bonds6

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

1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 3071450) has the molecular formula C12H23ClN4O3S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID3071450
Molecular FormulaC12H23ClN4O3S
Molecular Weight338.86 g/mol
Exact Mass338.12
IUPAC Name1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/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;1H
InChIKeyZBFHYGAKZXIZBA-UHFFFAOYSA-N
XLogP0.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 50.09
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;hydrochloride?
The IUPAC name of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 3071450) is 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride is CC(CNS(=O)(=O)c1cn(C)cn1)CN1CCOCC1.Cl.
What is the InChIKey of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is ZBFHYGAKZXIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S.ClH/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;1H.
What are the key properties of 1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 0.09, 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;hydrochloride is sourced from PubChem (CID 3071450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).