1-ethylsulfonyldiazinane

C6H14N2O2S — CID 130986227

IUPAC1-ethylsulfonyldiazinane
SMILESCCS(=O)(=O)N1CCCCN1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h7H,2-6H2,1H3
InChIKeyQVFHUEUKRHFEDF-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.06
Rot. Bonds2

About 1-ethylsulfonyldiazinane

1-ethylsulfonyldiazinane (PubChem CID 130986227) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-ethylsulfonyldiazinane.

Molecular Properties

Compound Name1-ethylsulfonyldiazinane
PubChem CID130986227
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-ethylsulfonyldiazinane
SMILESCCS(=O)(=O)N1CCCCN1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h7H,2-6H2,1H3
InChIKeyQVFHUEUKRHFEDF-UHFFFAOYSA-N
XLogP-0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyldiazinane?
The IUPAC name of 1-ethylsulfonyldiazinane (CID 130986227) is 1-ethylsulfonyldiazinane.
What is the SMILES notation for 1-ethylsulfonyldiazinane?
The canonical SMILES for 1-ethylsulfonyldiazinane is CCS(=O)(=O)N1CCCCN1.
What is the InChIKey of 1-ethylsulfonyldiazinane?
The InChIKey is QVFHUEUKRHFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h7H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyldiazinane?
1-ethylsulfonyldiazinane has a molecular weight of 178.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyldiazinane is sourced from PubChem (CID 130986227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).