2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide

C14H23N3O2S — CID 115988023

IUPAC2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
SMILESCSCC(C)N(C)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-7-5-4-6-12(13)14(18)16-15/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyYKHMKUCJQXDLDF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.35
Rot. Bonds8

About 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide

2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide (PubChem CID 115988023) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
PubChem CID115988023
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
SMILESCSCC(C)N(C)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-7-5-4-6-12(13)14(18)16-15/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyYKHMKUCJQXDLDF-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700
2-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethoxy]benzoic acid
CID 115986159
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013
2-pentoxybenzohydrazide
CID 54793215
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539
2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
CID 63570448
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
CID 115987871
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide?
The IUPAC name of 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide (CID 115988023) is 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide is CSCC(C)N(C)CCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide?
The InChIKey is YKHMKUCJQXDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-7-5-4-6-12(13)14(18)16-15/h4-7,11H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide?
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide has a molecular weight of 297.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 115988023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).