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

C5H10O2S — CID 5324725

IUPAC(3R)-3-methylthiolane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyCMJLMPKFQPJDKP-RXMQYKEDSA-N
MW134.20 g/mol
LogP0.44
Rot. Bonds

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

(3R)-3-methylthiolane 1,1-dioxide (PubChem CID 5324725) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (3R)-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-methylthiolane 1,1-dioxide
PubChem CID5324725
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(3R)-3-methylthiolane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyCMJLMPKFQPJDKP-RXMQYKEDSA-N
XLogP0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
2,4-Dimethylsulfolane
CID 70483
3-Methylsulfolane
CID 79119
2-Methyltetrahydrothiophene 1,1-dioxide
CID 549931
3-Methylthiolane 1-oxide
CID 13363184
Tetramethylene-D8 sulfone
CID 2733922
Dimethylsulfolan
CID 22262471
Ethyl isobutyl sulfone
CID 824011
3-Ethylsulfanylthiolane 1,1-dioxide
CID 315894
(1,1-Dioxo-1lambda6-thiolan-3-yl)methanesulfonyl chloride
CID 55279360
Thiophene, tetrahydro-3,4-dimethyl-, 1,1-dioxide
CID 12403081
2-Propan-2-ylthiolane 1,1-dioxide
CID 13525644

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylthiolane 1,1-dioxide?
The IUPAC name of (3R)-3-methylthiolane 1,1-dioxide (CID 5324725) is (3R)-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-methylthiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-methylthiolane 1,1-dioxide is C[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-3-methylthiolane 1,1-dioxide?
The InChIKey is CMJLMPKFQPJDKP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylthiolane 1,1-dioxide?
(3R)-3-methylthiolane 1,1-dioxide has a molecular weight of 134.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 5324725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).