[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine

C11H24N2O2S2 — CID 105310945

IUPAC[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1(C)CCCS1
InChIInChI=1S/C11H24N2O2S2/c1-3-17(14,15)9-4-6-10(13-12)11(2)7-5-8-16-11/h10,13H,3-9,12H2,1-2H3
InChIKeyYXPPCVGCOCUELT-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.32
Rot. Bonds7

About [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine

[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine (PubChem CID 105310945) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
PubChem CID105310945
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1(C)CCCS1
InChIInChI=1S/C11H24N2O2S2/c1-3-17(14,15)9-4-6-10(13-12)11(2)7-5-8-16-11/h10,13H,3-9,12H2,1-2H3
InChIKeyYXPPCVGCOCUELT-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine?
The IUPAC name of [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine (CID 105310945) is [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine?
The canonical SMILES for [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine is CCS(=O)(=O)CCCC(NN)C1(C)CCCS1.
What is the InChIKey of [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine?
The InChIKey is YXPPCVGCOCUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-3-17(14,15)9-4-6-10(13-12)11(2)7-5-8-16-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine?
[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine has a molecular weight of 280.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105310945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).