3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide

C12H21N3O2S — CID 106074785

IUPAC3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
SMILESCCNCc1cc(S(=O)(=O)NN(C)C)ccc1C
InChIInChI=1S/C12H21N3O2S/c1-5-13-9-11-8-12(7-6-10(11)2)18(16,17)14-15(3)4/h6-8,13-14H,5,9H2,1-4H3
InChIKeyUITGZLYQGHGKHM-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.86
Rot. Bonds6

About 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide

3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide (PubChem CID 106074785) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
PubChem CID106074785
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
SMILESCCNCc1cc(S(=O)(=O)NN(C)C)ccc1C
InChIInChI=1S/C12H21N3O2S/c1-5-13-9-11-8-12(7-6-10(11)2)18(16,17)14-15(3)4/h6-8,13-14H,5,9H2,1-4H3
InChIKeyUITGZLYQGHGKHM-UHFFFAOYSA-N
XLogP0.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059124
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
3-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)-4-methylbenzenesulfonamide
CID 106069649
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 106074981
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-methyl-N-(2-methylsulfanylpropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 106077660

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide?
The IUPAC name of 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide (CID 106074785) is 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide.
What is the SMILES notation for 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide?
The canonical SMILES for 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide is CCNCc1cc(S(=O)(=O)NN(C)C)ccc1C.
What is the InChIKey of 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide?
The InChIKey is UITGZLYQGHGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-13-9-11-8-12(7-6-10(11)2)18(16,17)14-15(3)4/h6-8,13-14H,5,9H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide?
3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide has a molecular weight of 271.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).