6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide

C11H18N4OS — CID 106909362

IUPAC6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCSCCN(C)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C11H18N4OS/c1-15(6-7-17-2)8-9-4-3-5-10(13-9)11(16)14-12/h3-5H,6-8,12H2,1-2H3,(H,14,16)
InChIKeyLODCNWORUQMKTA-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.48
Rot. Bonds6

About 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide

6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909362) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide
PubChem CID106909362
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCSCCN(C)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C11H18N4OS/c1-15(6-7-17-2)8-9-4-3-5-10(13-9)11(16)14-12/h3-5H,6-8,12H2,1-2H3,(H,14,16)
InChIKeyLODCNWORUQMKTA-UHFFFAOYSA-N
XLogP0.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide (CID 106909362) is 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide is CSCCN(C)Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide?
The InChIKey is LODCNWORUQMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15(6-7-17-2)8-9-4-3-5-10(13-9)11(16)14-12/h3-5H,6-8,12H2,1-2H3,(H,14,16).
What are the key properties of 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide?
6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide has a molecular weight of 254.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).