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

C11H21ClN4O3S — CID 3078101

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C11H20N4O3S.ClH/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;1H
InChIKeyLEWFRTJPMDZZJY-UHFFFAOYSA-N
MW324.83 g/mol
LogP-0.16
Rot. Bonds6

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

1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 3078101) has the molecular formula C11H21ClN4O3S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID3078101
Molecular FormulaC11H21ClN4O3S
Molecular Weight324.83 g/mol
Exact Mass324.10
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C11H20N4O3S.ClH/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;1H
InChIKeyLEWFRTJPMDZZJY-UHFFFAOYSA-N
XLogP-0.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 5-0.16
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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Related Compounds

1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
1-methyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]imidazole-4-sulfonamide
CID 3071469
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
1-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321727
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
CID 119994593
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 3078101) is 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is LEWFRTJPMDZZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S.ClH/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;1H.
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of -0.16, 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;hydrochloride is sourced from PubChem (CID 3078101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).