2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide

C14H25N3O2S — CID 106074662

IUPAC2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
SMILESCCCNCc1ccc(CC)c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-5-9-15-11-12-7-8-13(6-2)14(10-12)20(18,19)16-17(3)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeySDRYQZWZUBPJJZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.50
Rot. Bonds8

About 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide

2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide (PubChem CID 106074662) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
PubChem CID106074662
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
SMILESCCCNCc1ccc(CC)c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-5-9-15-11-12-7-8-13(6-2)14(10-12)20(18,19)16-17(3)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeySDRYQZWZUBPJJZ-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 106032666
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
2-bromo-N-[2-(dimethylamino)ethyl]-5-(propylaminomethyl)benzenesulfonamide
CID 106032753
N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
2-ethyl-5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079789
2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106029837
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
2-bromo-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106079818
2-methyl-N-(2-methylsulfanylpropyl)-5-(propylaminomethyl)benzenesulfonamide
CID 106077729

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide?
The IUPAC name of 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide (CID 106074662) is 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide.
What is the SMILES notation for 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide?
The canonical SMILES for 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide is CCCNCc1ccc(CC)c(S(=O)(=O)NN(C)C)c1.
What is the InChIKey of 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide?
The InChIKey is SDRYQZWZUBPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-9-15-11-12-7-8-13(6-2)14(10-12)20(18,19)16-17(3)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3.
What are the key properties of 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide?
2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide has a molecular weight of 299.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide is sourced from PubChem (CID 106074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).