2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide

C10H13FN2O2S — CID 103229904

IUPAC2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccccc1F)C(=O)NN
InChIInChI=1S/C10H13FN2O2S/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyWKVCNHYMDQUSTK-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.92
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide

2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide (PubChem CID 103229904) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide
PubChem CID103229904
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccccc1F)C(=O)NN
InChIInChI=1S/C10H13FN2O2S/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyWKVCNHYMDQUSTK-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.92
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-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
CID 103230047
2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide
CID 103229970
2-(4-bromophenyl)sulfanyl-3-methoxypropanehydrazide
CID 103229934
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
2-(2-bromophenyl)sulfanylpentanehydrazide
CID 83047435
2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
CID 103229927
methyl 2-[2-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460832
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224424
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide (CID 103229904) is 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide is COCC(Sc1ccccc1F)C(=O)NN.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide?
The InChIKey is WKVCNHYMDQUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide?
2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide has a molecular weight of 244.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide is sourced from PubChem (CID 103229904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).