(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide

C6H12O3S — CID 54103725

IUPAC(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide
SMILESCO[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C6H12O3S/c1-5-6(9-2)3-4-10(5,7)8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyNCHGYHGLJILZEI-PHDIDXHHSA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds1

About (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide

(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide (PubChem CID 54103725) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide
PubChem CID54103725
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide
SMILESCO[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C6H12O3S/c1-5-6(9-2)3-4-10(5,7)8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyNCHGYHGLJILZEI-PHDIDXHHSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxy-tetrahydro-thiophene 1,1-dioxide
CID 214010
3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
3-Methylsulfonyloxytetrahydrothiophen-1,1-dioxide
CID 3113014
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
ST50179549
CID 3813693
3-Methylsulfonyloxy-thiolane
CID 15926107
2,3-Epoxypropyl ethyl sulfone
CID 12640995
2,3-Epoxypropyl butyl sulfone
CID 13284956
Isopropyloxysulfolane
CID 18508821
Methoxysulfolane
CID 53796559

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide?
The IUPAC name of (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide (CID 54103725) is (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide?
The canonical SMILES for (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide is CO[C@@H]1CCS(=O)(=O)[C@@H]1C.
What is the InChIKey of (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide?
The InChIKey is NCHGYHGLJILZEI-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O3S/c1-5-6(9-2)3-4-10(5,7)8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide?
(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide is sourced from PubChem (CID 54103725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).