imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane

C8H17NO2S — CID 165438879

IUPACimino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(C(C)C)C1CCOCC1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyKZPULUVSJFLHPG-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.62
Rot. Bonds2

About imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane

imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane (PubChem CID 165438879) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameimino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane
PubChem CID165438879
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Nameimino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(C(C)C)C1CCOCC1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyKZPULUVSJFLHPG-UHFFFAOYSA-N
XLogP1.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane (CID 165438879) is imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane is [H]N=S(=O)(C(C)C)C1CCOCC1.
What is the InChIKey of imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is KZPULUVSJFLHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane?
imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 191.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 165438879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).