1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol

C10H16F3NO3S — CID 60666035

IUPAC1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8-5-18(16,17)6-9(8)15/h7-9,15H,1-6H2
InChIKeyWTTSVPYZHCZPKV-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.42
Rot. Bonds1

About 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol

1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol (PubChem CID 60666035) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol
PubChem CID60666035
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8-5-18(16,17)6-9(8)15/h7-9,15H,1-6H2
InChIKeyWTTSVPYZHCZPKV-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol (CID 60666035) is 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol is O=S1(=O)CC(O)C(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol?
The InChIKey is WTTSVPYZHCZPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8-5-18(16,17)6-9(8)15/h7-9,15H,1-6H2.
What are the key properties of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol?
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol has a molecular weight of 287.30 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol is sourced from PubChem (CID 60666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).