3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide

C8H16N2O2S — CID 107760881

IUPAC3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
SMILESCC1OCCC1SCCC(=O)NN
InChIInChI=1S/C8H16N2O2S/c1-6-7(2-4-12-6)13-5-3-8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyBWZMRWVPWZMKOD-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.28
Rot. Bonds4

About 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide

3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide (PubChem CID 107760881) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
PubChem CID107760881
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
SMILESCC1OCCC1SCCC(=O)NN
InChIInChI=1S/C8H16N2O2S/c1-6-7(2-4-12-6)13-5-3-8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyBWZMRWVPWZMKOD-UHFFFAOYSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.28
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

2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748281
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755324
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107755232
4-(2-methyloxolan-3-yl)sulfanyl-N-propylbutan-1-amine
CID 107756866
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
3-cyclopentylsulfanylpropanehydrazide
CID 60782274
2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide
CID 107750203

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide (CID 107760881) is 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide is CC1OCCC1SCCC(=O)NN.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The InChIKey is BWZMRWVPWZMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-6-7(2-4-12-6)13-5-3-8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide has a molecular weight of 204.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide is sourced from PubChem (CID 107760881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).