1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide

C11H17F3N2O3S — CID 82812392

IUPAC1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)NC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)16-10(17)7-3-4-20(18,19)6-7/h7-9,15H,1-6H2,(H,16,17)
InChIKeyMMCANSSFBZHVID-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.22
Rot. Bonds2

About 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide

1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide (PubChem CID 82812392) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide
PubChem CID82812392
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)NC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)16-10(17)7-3-4-20(18,19)6-7/h7-9,15H,1-6H2,(H,16,17)
InChIKeyMMCANSSFBZHVID-UHFFFAOYSA-N
XLogP0.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide (CID 82812392) is 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide is O=C(NC1CCC(C(F)(F)F)NC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide?
The InChIKey is MMCANSSFBZHVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)16-10(17)7-3-4-20(18,19)6-7/h7-9,15H,1-6H2,(H,16,17).
What are the key properties of 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide?
1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide is sourced from PubChem (CID 82812392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).