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

C7H14O2S — CID 135057507

IUPAC2-[[(S)-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-/m0/s1
InChIKeyLYJZNWHVFFPSNS-MHPPCMCBSA-N
MW162.25 g/mol
LogP0.93
Rot. Bonds2

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

2-[[(S)-methylsulfinyl]methyl]oxane (PubChem CID 135057507) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-[[(S)-methylsulfinyl]methyl]oxane.

Molecular Properties

Compound Name2-[[(S)-methylsulfinyl]methyl]oxane
PubChem CID135057507
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-[[(S)-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-/m0/s1
InChIKeyLYJZNWHVFFPSNS-MHPPCMCBSA-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

Analyze 2-[[(S)-methylsulfinyl]methyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-methylsulfinyl]methyl]oxane?
The IUPAC name of 2-[[(S)-methylsulfinyl]methyl]oxane (CID 135057507) is 2-[[(S)-methylsulfinyl]methyl]oxane.
What is the SMILES notation for 2-[[(S)-methylsulfinyl]methyl]oxane?
The canonical SMILES for 2-[[(S)-methylsulfinyl]methyl]oxane is C[S@](=O)CC1CCCCO1.
What is the InChIKey of 2-[[(S)-methylsulfinyl]methyl]oxane?
The InChIKey is LYJZNWHVFFPSNS-MHPPCMCBSA-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-/m0/s1.
What are the key properties of 2-[[(S)-methylsulfinyl]methyl]oxane?
2-[[(S)-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-[[(S)-methylsulfinyl]methyl]oxane is sourced from PubChem (CID 135057507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).