3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide

C13H20N2O2S — CID 64560373

IUPAC3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
SMILESCOCCCSCC(C(=O)NN)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-17-8-5-9-18-10-12(13(16)15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyRFDHYRVWLISWOR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.53
Rot. Bonds8

About 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide

3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide (PubChem CID 64560373) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
PubChem CID64560373
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
SMILESCOCCCSCC(C(=O)NN)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-17-8-5-9-18-10-12(13(16)15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyRFDHYRVWLISWOR-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
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

3-(3-methoxypropylsulfanyl)-2-phenylpropanimidamide
CID 64536706
3-[3-methoxypropyl(methyl)amino]-2-phenylpropanehydrazide
CID 64566055
2-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081
3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
CID 66227938
2-(3-methoxypropoxy)-2-phenylacetohydrazide
CID 63587948
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
CID 64537302
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
2-[3-(2-methoxyethoxy)propoxy]-2-phenylacetohydrazide
CID 103407127
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide?
The IUPAC name of 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide (CID 64560373) is 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide?
The canonical SMILES for 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide is COCCCSCC(C(=O)NN)c1ccccc1.
What is the InChIKey of 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide?
The InChIKey is RFDHYRVWLISWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-8-5-9-18-10-12(13(16)15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide?
3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide has a molecular weight of 268.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide is sourced from PubChem (CID 64560373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).