(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide

C5H7F3O2S — CID 162403181

IUPAC(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C5H7F3O2S/c6-5(7,8)4-1-2-11(9,10)3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyAKISNWJWIMXFSM-SCSAIBSYSA-N
MW188.17 g/mol
LogP0.98
Rot. Bonds

About (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide

(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 162403181) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID162403181
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C5H7F3O2S/c6-5(7,8)4-1-2-11(9,10)3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyAKISNWJWIMXFSM-SCSAIBSYSA-N
XLogP0.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
(3S,4R)-3,4-difluorothiolane 1,1-dioxide
CID 100930637
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide
CID 11240618
3-Methyl-1-(trifluoromethylsulfonyl)butane
CID 20755085
2,2-Difluoro-3-methyl-1-methylsulfonylbutane
CID 58185817
2-Methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
CID 58815018
2,2,4-Trifluorothiolane 1,1-dioxide
CID 59228904
2,2,3-Trifluoro-3-methylthiolane 1,1-dioxide
CID 66729785
2,4-Difluoro-4-(fluoromethyl)thiolane 1,1-dioxide
CID 66729797
2,3,5-Trifluoro-4-methylthiolane 1,1-dioxide
CID 66729808

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide (CID 162403181) is (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is AKISNWJWIMXFSM-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c6-5(7,8)4-1-2-11(9,10)3-4/h4H,1-3H2/t4-/m1/s1.
What are the key properties of (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide?
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 188.17 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 162403181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).