2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide

C9H21N3OS — CID 112666689

IUPAC2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
SMILESCSCC(C)N(C)CC(C)C(=O)NN
InChIInChI=1S/C9H21N3OS/c1-7(9(13)11-10)5-12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyAWCDSZVVHSZFSW-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.30
Rot. Bonds6

About 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide

2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide (PubChem CID 112666689) has the molecular formula C9H21N3OS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
PubChem CID112666689
Molecular FormulaC9H21N3OS
Molecular Weight219.35 g/mol
Exact Mass219.14
IUPAC Name2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
SMILESCSCC(C)N(C)CC(C)C(=O)NN
InChIInChI=1S/C9H21N3OS/c1-7(9(13)11-10)5-12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyAWCDSZVVHSZFSW-UHFFFAOYSA-N
XLogP0.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.30
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'}

Analyze 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
2-methyl-3-methylsulfanylpropanehydrazide
CID 63580360
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
CID 112662186
2-methylpentanehydrazide
CID 43183484
3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
CID 79858043
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide (CID 112666689) is 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide is CSCC(C)N(C)CC(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide?
The InChIKey is AWCDSZVVHSZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3OS/c1-7(9(13)11-10)5-12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13).
What are the key properties of 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide?
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide has a molecular weight of 219.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide is sourced from PubChem (CID 112666689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).