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

C12H23ClN4O3S — CID 3078102

IUPAC1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1
InChIInChI=1S/C12H22N4O3S.ClH/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;1H
InChIKeyAOKKKBGVBMGSDL-UHFFFAOYSA-N
MW338.86 g/mol
LogP0.23
Rot. Bonds7

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

1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 3078102) has the molecular formula C12H23ClN4O3S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID3078102
Molecular FormulaC12H23ClN4O3S
Molecular Weight338.86 g/mol
Exact Mass338.12
IUPAC Name1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1
InChIInChI=1S/C12H22N4O3S.ClH/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;1H
InChIKeyAOKKKBGVBMGSDL-UHFFFAOYSA-N
XLogP0.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 50.23
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;hydrochloride?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride (CID 3078102) is 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(S(=O)(=O)NCCCCN2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is AOKKKBGVBMGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S.ClH/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;1H.
What are the key properties of 1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride?
1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 0.23, 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;hydrochloride is sourced from PubChem (CID 3078102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).