4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide

C12H21N3O3S — CID 106074924

IUPAC4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
SMILESCCNCc1ccc(S(=O)(=O)NN(C)C)c(OC)c1
InChIInChI=1S/C12H21N3O3S/c1-5-13-9-10-6-7-12(11(8-10)18-4)19(16,17)14-15(2)3/h6-8,13-14H,5,9H2,1-4H3
InChIKeyKXMUUSABDFMYRA-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.56
Rot. Bonds7

About 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide

4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 106074924) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID106074924
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
SMILESCCNCc1ccc(S(=O)(=O)NN(C)C)c(OC)c1
InChIInChI=1S/C12H21N3O3S/c1-5-13-9-10-6-7-12(11(8-10)18-4)19(16,17)14-15(2)3/h6-8,13-14H,5,9H2,1-4H3
InChIKeyKXMUUSABDFMYRA-UHFFFAOYSA-N
XLogP0.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
CID 102704679
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
CID 106074662
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide (CID 106074924) is 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide is CCNCc1ccc(S(=O)(=O)NN(C)C)c(OC)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is KXMUUSABDFMYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-13-9-10-6-7-12(11(8-10)18-4)19(16,17)14-15(2)3/h6-8,13-14H,5,9H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide?
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 287.38 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).