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

C13H21N3OS — CID 112666671

IUPAC4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
SMILESCSCC(C)N(C)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3OS/c1-10(9-18-3)16(2)8-11-4-6-12(7-5-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyWZNPUTDLWDKVNJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.47
Rot. Bonds6

About 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide (PubChem CID 112666671) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
PubChem CID112666671
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
SMILESCSCC(C)N(C)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3OS/c1-10(9-18-3)16(2)8-11-4-6-12(7-5-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyWZNPUTDLWDKVNJ-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 112663861
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
CID 63578262
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide (CID 112666671) is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide is CSCC(C)N(C)Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide?
The InChIKey is WZNPUTDLWDKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(9-18-3)16(2)8-11-4-6-12(7-5-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide?
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide has a molecular weight of 267.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 112666671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).