2-methyl-3-methylsulfanylpropanehydrazide

C5H12N2OS — CID 63580360

IUPAC2-methyl-3-methylsulfanylpropanehydrazide
SMILESCSCC(C)C(=O)NN
InChIInChI=1S/C5H12N2OS/c1-4(3-9-2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyLVNXEWCUFKTUMA-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.02
Rot. Bonds3

About 2-methyl-3-methylsulfanylpropanehydrazide

2-methyl-3-methylsulfanylpropanehydrazide (PubChem CID 63580360) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound Name2-methyl-3-methylsulfanylpropanehydrazide
PubChem CID63580360
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-methyl-3-methylsulfanylpropanehydrazide
SMILESCSCC(C)C(=O)NN
InChIInChI=1S/C5H12N2OS/c1-4(3-9-2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyLVNXEWCUFKTUMA-UHFFFAOYSA-N
XLogP-0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949
(2R)-2-methyl-4-oxopentanehydrazide
CID 166884818
2-methylpentanehydrazide
CID 43183484
N-cyano-2-methyl-3-methylsulfanylpropanamide
CID 130485966
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
3-methyl-4-methylsulfanylbutan-2-one
CID 11789248
2,4-dimethyl-1-methylsulfanylpentan-3-one
CID 59753274
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 119613815
2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
CID 63591170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanylpropanehydrazide?
The IUPAC name of 2-methyl-3-methylsulfanylpropanehydrazide (CID 63580360) is 2-methyl-3-methylsulfanylpropanehydrazide.
What is the SMILES notation for 2-methyl-3-methylsulfanylpropanehydrazide?
The canonical SMILES for 2-methyl-3-methylsulfanylpropanehydrazide is CSCC(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-methylsulfanylpropanehydrazide?
The InChIKey is LVNXEWCUFKTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-4(3-9-2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-methyl-3-methylsulfanylpropanehydrazide?
2-methyl-3-methylsulfanylpropanehydrazide has a molecular weight of 148.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 63580360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).