(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one

C8H18N2OS — CID 159990263

IUPAC(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one
SMILESCSCC[C@H](NN(C)C)C(C)=O
InChIInChI=1S/C8H18N2OS/c1-7(11)8(5-6-12-4)9-10(2)3/h8-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyOGWALMKZICWGTQ-QMMMGPOBSA-N
MW190.31 g/mol
LogP0.76
Rot. Bonds6

About (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one

(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one (PubChem CID 159990263) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one
PubChem CID159990263
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one
SMILESCSCC[C@H](NN(C)C)C(C)=O
InChIInChI=1S/C8H18N2OS/c1-7(11)8(5-6-12-4)9-10(2)3/h8-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyOGWALMKZICWGTQ-QMMMGPOBSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one 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

2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
CID 141025878
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
2-methylpropyl N-(1-methylsulfanyl-4-oxopentan-3-yl)carbamate
CID 122432676
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
CID 170843089
CID 170843089
(2S)-2-(hydroperoxyamino)-4-methylsulfanylbutanoic acid
CID 87269136
tetrakis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 154734792
zinc bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
CID 24847734
N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 54055812

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one?
The IUPAC name of (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one (CID 159990263) is (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one.
What is the SMILES notation for (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one?
The canonical SMILES for (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one is CSCC[C@H](NN(C)C)C(C)=O.
What is the InChIKey of (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one?
The InChIKey is OGWALMKZICWGTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7(11)8(5-6-12-4)9-10(2)3/h8-9H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one?
(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one has a molecular weight of 190.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one is sourced from PubChem (CID 159990263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).