[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine

C13H21FN2O2S2 — CID 105236139

IUPAC[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CSc1ccccc1F)NN
InChIInChI=1S/C13H21FN2O2S2/c1-2-20(17,18)9-5-6-11(16-15)10-19-13-8-4-3-7-12(13)14/h3-4,7-8,11,16H,2,5-6,9-10,15H2,1H3
InChIKeyBROPGEZRFJXDBI-UHFFFAOYSA-N
MW320.45 g/mol
LogP1.96
Rot. Bonds9

About [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine

[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine (PubChem CID 105236139) has the molecular formula C13H21FN2O2S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
PubChem CID105236139
Molecular FormulaC13H21FN2O2S2
Molecular Weight320.45 g/mol
Exact Mass320.10
IUPAC Name[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CSc1ccccc1F)NN
InChIInChI=1S/C13H21FN2O2S2/c1-2-20(17,18)9-5-6-11(16-15)10-19-13-8-4-3-7-12(13)14/h3-4,7-8,11,16H,2,5-6,9-10,15H2,1H3
InChIKeyBROPGEZRFJXDBI-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
[1-(2-fluorophenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105236122
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236088
[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
CID 105236110
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-yn-2-amine
CID 113374333
1-phenylsulfanylheptan-2-ylhydrazine
CID 105228217

Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The IUPAC name of [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine (CID 105236139) is [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine.
What is the SMILES notation for [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The canonical SMILES for [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine is CCS(=O)(=O)CCCC(CSc1ccccc1F)NN.
What is the InChIKey of [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
The InChIKey is BROPGEZRFJXDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S2/c1-2-20(17,18)9-5-6-11(16-15)10-19-13-8-4-3-7-12(13)14/h3-4,7-8,11,16H,2,5-6,9-10,15H2,1H3.
What are the key properties of [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine?
[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine has a molecular weight of 320.45 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine is sourced from PubChem (CID 105236139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).