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

C11H21ClN4O3S — CID 3071466

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cncc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S.ClH/c1-14-10-12-9-11(14)19(16,17)13-3-2-4-15-5-7-18-8-6-15;/h9-10,13H,2-8H2,1H3;1H
InChIKeyWDVOFVFRBYQDRM-UHFFFAOYSA-N
MW324.83 g/mol
LogP-0.16
Rot. Bonds6

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

3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 3071466) has the molecular formula C11H21ClN4O3S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID3071466
Molecular FormulaC11H21ClN4O3S
Molecular Weight324.83 g/mol
Exact Mass324.10
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cncc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S.ClH/c1-14-10-12-9-11(14)19(16,17)13-3-2-4-15-5-7-18-8-6-15;/h9-10,13H,2-8H2,1H3;1H
InChIKeyWDVOFVFRBYQDRM-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

1H-Imidazole-2-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071457
1H-Imidazole-2-sulfonamide, 1-methyl-N-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3071459
1H-Imidazole-4-sulfonamide, 5-chloro-1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071461
Morpholinium, 4-methyl-4-(3-(((1-methyl-1H-imidazol-4-yl)sulfonyl)amino)propyl)-, iodide
CID 3071468
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-
CID 3071470
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3078101
5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
CID 3071462
1H-Imidazole-4-sulfonamide, 1-methyl-N-(2-methyl-3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071450
1H-Imidazole-4-sulfonamide, 1-methyl-N-(4-(4-morpholinyl)butyl)-, monohydrochloride
CID 3078102
4-(1H-imidazole-4-sulfonyl)morpholine
CID 64154478
5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-sulfonamide
CID 122199026
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 3071466) is 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride is Cl.Cn1cncc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is WDVOFVFRBYQDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S.ClH/c1-14-10-12-9-11(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 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
3-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 3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 3071466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).