3-methoxy-2-pentylsulfanylpropanehydrazide

C9H20N2O2S — CID 107760948

IUPAC3-methoxy-2-pentylsulfanylpropanehydrazide
SMILESCCCCCSC(COC)C(=O)NN
InChIInChI=1S/C9H20N2O2S/c1-3-4-5-6-14-8(7-13-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXTNIUDBFNUEHAC-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.91
Rot. Bonds8

About 3-methoxy-2-pentylsulfanylpropanehydrazide

3-methoxy-2-pentylsulfanylpropanehydrazide (PubChem CID 107760948) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-methoxy-2-pentylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-pentylsulfanylpropanehydrazide
PubChem CID107760948
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-methoxy-2-pentylsulfanylpropanehydrazide
SMILESCCCCCSC(COC)C(=O)NN
InChIInChI=1S/C9H20N2O2S/c1-3-4-5-6-14-8(7-13-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXTNIUDBFNUEHAC-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
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': 'Aliphatic_long_chain', '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-butan-2-ylsulfanyl-3-methoxypropanehydrazide
CID 103229927
2-hexoxy-3-methoxypropanehydrazide
CID 103229247
methyl 3-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylpropanoate
CID 63580664
methyl 2-(6-fluorohexylsulfanyl)heptanoate
CID 87342235
2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide
CID 103229970
2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide
CID 103229934
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
methyl 3,3-bis(pentylsulfanyl)propanoate
CID 171487312
2-dodecylsulfanylpentanamide
CID 89267031
2-(3-aminobutylsulfanyl)butanehydrazide
CID 66234843
2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
CID 103230047
methyl 2-(5,5,6,6,6-pentafluorohexylsulfanyl)heptanoate
CID 87340550

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-pentylsulfanylpropanehydrazide?
The IUPAC name of 3-methoxy-2-pentylsulfanylpropanehydrazide (CID 107760948) is 3-methoxy-2-pentylsulfanylpropanehydrazide.
What is the SMILES notation for 3-methoxy-2-pentylsulfanylpropanehydrazide?
The canonical SMILES for 3-methoxy-2-pentylsulfanylpropanehydrazide is CCCCCSC(COC)C(=O)NN.
What is the InChIKey of 3-methoxy-2-pentylsulfanylpropanehydrazide?
The InChIKey is XTNIUDBFNUEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-4-5-6-14-8(7-13-2)9(12)11-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-pentylsulfanylpropanehydrazide?
3-methoxy-2-pentylsulfanylpropanehydrazide has a molecular weight of 220.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-pentylsulfanylpropanehydrazide is sourced from PubChem (CID 107760948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).