2-deuterio-2-(methylsulfonylmethyl)oxolane

C6H12O3S — CID 175783916

IUPAC2-deuterio-2-(methylsulfonylmethyl)oxolane
SMILES[2H]C1(CS(C)(=O)=O)CCCO1
InChIInChI=1S/C6H12O3S/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3/i6D
InChIKeyMYDGSIFTILDPNL-RAMDWTOOSA-N
MW165.23 g/mol
LogP0.21
Rot. Bonds2

About 2-deuterio-2-(methylsulfonylmethyl)oxolane

2-deuterio-2-(methylsulfonylmethyl)oxolane (PubChem CID 175783916) has the molecular formula C6H12O3S and a molecular weight of 165.23 g/mol. Its IUPAC name is 2-deuterio-2-(methylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-deuterio-2-(methylsulfonylmethyl)oxolane
PubChem CID175783916
Molecular FormulaC6H12O3S
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name2-deuterio-2-(methylsulfonylmethyl)oxolane
SMILES[2H]C1(CS(C)(=O)=O)CCCO1
InChIInChI=1S/C6H12O3S/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3/i6D
InChIKeyMYDGSIFTILDPNL-RAMDWTOOSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(methylsulfonylmethyl)oxolane?
The IUPAC name of 2-deuterio-2-(methylsulfonylmethyl)oxolane (CID 175783916) is 2-deuterio-2-(methylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-deuterio-2-(methylsulfonylmethyl)oxolane?
The canonical SMILES for 2-deuterio-2-(methylsulfonylmethyl)oxolane is [2H]C1(CS(C)(=O)=O)CCCO1.
What is the InChIKey of 2-deuterio-2-(methylsulfonylmethyl)oxolane?
The InChIKey is MYDGSIFTILDPNL-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3/i6D.
What are the key properties of 2-deuterio-2-(methylsulfonylmethyl)oxolane?
2-deuterio-2-(methylsulfonylmethyl)oxolane has a molecular weight of 165.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(methylsulfonylmethyl)oxolane is sourced from PubChem (CID 175783916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).