ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane

C7H15NO2S — CID 165438824

IUPACethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)C1CCOCC1
InChIInChI=1S/C7H15NO2S/c1-2-11(8,9)7-3-5-10-6-4-7/h7-8H,2-6H2,1H3
InChIKeyAFMIXDHNOPLHBV-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.23
Rot. Bonds2

About ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane

ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane (PubChem CID 165438824) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
PubChem CID165438824
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Nameethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)C1CCOCC1
InChIInChI=1S/C7H15NO2S/c1-2-11(8,9)7-3-5-10-6-4-7/h7-8H,2-6H2,1H3
InChIKeyAFMIXDHNOPLHBV-UHFFFAOYSA-N
XLogP1.23
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane?
The IUPAC name of ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane (CID 165438824) is ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane?
The canonical SMILES for ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane is [H]N=S(=O)(CC)C1CCOCC1.
What is the InChIKey of ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane?
The InChIKey is AFMIXDHNOPLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11(8,9)7-3-5-10-6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane?
ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane has a molecular weight of 177.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane is sourced from PubChem (CID 165438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).