2-[[(R)-methylsulfinyl]methyl]oxane

C7H14O2S — CID 131851862

IUPAC2-[[(R)-methylsulfinyl]methyl]oxane
SMILESC[S@@](=O)CC1CCCCO1
InChIInChI=1S/C7H14O2S/c1-10(8)6-7-4-2-3-5-9-7/h7H,2-6H2,1H3/t7?,10-/m1/s1
InChIKeyLYJZNWHVFFPSNS-OMNKOJBGSA-N
MW162.25 g/mol
LogP0.93
Rot. Bonds2

About 2-[[(R)-methylsulfinyl]methyl]oxane

2-[[(R)-methylsulfinyl]methyl]oxane (PubChem CID 131851862) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-[[(R)-methylsulfinyl]methyl]oxane.

Molecular Properties

Compound Name2-[[(R)-methylsulfinyl]methyl]oxane
PubChem CID131851862
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-[[(R)-methylsulfinyl]methyl]oxane
SMILESC[S@@](=O)CC1CCCCO1
InChIInChI=1S/C7H14O2S/c1-10(8)6-7-4-2-3-5-9-7/h7H,2-6H2,1H3/t7?,10-/m1/s1
InChIKeyLYJZNWHVFFPSNS-OMNKOJBGSA-N
XLogP0.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-methylsulfinyl]methyl]oxane?
The IUPAC name of 2-[[(R)-methylsulfinyl]methyl]oxane (CID 131851862) is 2-[[(R)-methylsulfinyl]methyl]oxane.
What is the SMILES notation for 2-[[(R)-methylsulfinyl]methyl]oxane?
The canonical SMILES for 2-[[(R)-methylsulfinyl]methyl]oxane is C[S@@](=O)CC1CCCCO1.
What is the InChIKey of 2-[[(R)-methylsulfinyl]methyl]oxane?
The InChIKey is LYJZNWHVFFPSNS-OMNKOJBGSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10(8)6-7-4-2-3-5-9-7/h7H,2-6H2,1H3/t7?,10-/m1/s1.
What are the key properties of 2-[[(R)-methylsulfinyl]methyl]oxane?
2-[[(R)-methylsulfinyl]methyl]oxane has a molecular weight of 162.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-methylsulfinyl]methyl]oxane is sourced from PubChem (CID 131851862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).