4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide

C15H24N3O2S+ — CID 7115137

IUPAC4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
SMILESCCC[NH+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-3-10-18-11-8-14(9-12-18)16-17-21(19,20)15-6-4-13(2)5-7-15/h4-7,17H,3,8-12H2,1-2H3/p+1
InChIKeyYGKVABICYIWSKD-UHFFFAOYSA-O
MW310.44 g/mol
LogP0.72
Rot. Bonds5

About 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide

4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide (PubChem CID 7115137) has the molecular formula C15H24N3O2S+ and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
PubChem CID7115137
Molecular FormulaC15H24N3O2S+
Molecular Weight310.44 g/mol
Exact Mass310.16
IUPAC Name4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
SMILESCCC[NH+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-3-10-18-11-8-14(9-12-18)16-17-21(19,20)15-6-4-13(2)5-7-15/h4-7,17H,3,8-12H2,1-2H3/p+1
InChIKeyYGKVABICYIWSKD-UHFFFAOYSA-O
XLogP0.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-ethoxybenzenesulfonamide
CID 9078378
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
CID 134382089
N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
CID 6510927
ethyl 3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[3.1.0]hexane-6-carboxylate
CID 151349571
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685
N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide
CID 91885680
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide (CID 7115137) is 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide is CCC[NH+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide?
The InChIKey is YGKVABICYIWSKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O2S/c1-3-10-18-11-8-14(9-12-18)16-17-21(19,20)15-6-4-13(2)5-7-15/h4-7,17H,3,8-12H2,1-2H3/p+1.
What are the key properties of 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide?
4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 7115137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).