3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide

C10H20N2O2S — CID 107760901

IUPAC3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide
SMILESCC(C)C(SC1CCOC1C)C(=O)NN
InChIInChI=1S/C10H20N2O2S/c1-6(2)9(10(13)12-11)15-8-4-5-14-7(8)3/h6-9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyAWUDERXZERDGNM-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.91
Rot. Bonds4

About 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide

3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide (PubChem CID 107760901) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide
PubChem CID107760901
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide
SMILESCC(C)C(SC1CCOC1C)C(=O)NN
InChIInChI=1S/C10H20N2O2S/c1-6(2)9(10(13)12-11)15-8-4-5-14-7(8)3/h6-9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyAWUDERXZERDGNM-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.91
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

3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760904
4-(2-methyloxolan-3-yl)sulfanylpentan-2-one
CID 19878871
N-(3-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748329
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748313
N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748299
ethyl 2-(cyclopropylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755269
methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755163
propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
CID 103847391
N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine
CID 107756825
2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
CID 107764612
N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
CID 107762583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide?
The IUPAC name of 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide (CID 107760901) is 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide.
What is the SMILES notation for 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide?
The canonical SMILES for 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide is CC(C)C(SC1CCOC1C)C(=O)NN.
What is the InChIKey of 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide?
The InChIKey is AWUDERXZERDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-6(2)9(10(13)12-11)15-8-4-5-14-7(8)3/h6-9H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide?
3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide has a molecular weight of 232.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide is sourced from PubChem (CID 107760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).