1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol

C10H10F3NO3S2 — CID 60669758

IUPAC1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(Sc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H10F3NO3S2/c11-10(12,13)6-1-2-9(14-3-6)18-8-5-19(16,17)4-7(8)15/h1-3,7-8,15H,4-5H2
InChIKeyXPGJHYFKLNXJND-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.35
Rot. Bonds2

About 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol

1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol (PubChem CID 60669758) has the molecular formula C10H10F3NO3S2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol
PubChem CID60669758
Molecular FormulaC10H10F3NO3S2
Molecular Weight313.32 g/mol
Exact Mass313.01
IUPAC Name1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(Sc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H10F3NO3S2/c11-10(12,13)6-1-2-9(14-3-6)18-8-5-19(16,17)4-7(8)15/h1-3,7-8,15H,4-5H2
InChIKeyXPGJHYFKLNXJND-UHFFFAOYSA-N
XLogP1.35
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
CID 63703434
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
CID 43293087
S-[5-(trifluoromethyl)-2-pyridinyl] 4-(trifluoromethyl)benzenecarbothioate
CID 2744390
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 41036765
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
CID 64621703
[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine
CID 43530456
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
N-(4-hydroxycyclohexyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78794481
(2R)-N-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 95900158
ethyl 4-amino-2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanylpyrimidine-5-carboxylate
CID 115330645
1-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
CID 79650620

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol (CID 60669758) is 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol is O=S1(=O)CC(O)C(Sc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol?
The InChIKey is XPGJHYFKLNXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S2/c11-10(12,13)6-1-2-9(14-3-6)18-8-5-19(16,17)4-7(8)15/h1-3,7-8,15H,4-5H2.
What are the key properties of 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol?
1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol has a molecular weight of 313.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol is sourced from PubChem (CID 60669758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).