1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

C12H19F3N2O3S — CID 64912128

IUPAC1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H19F3N2O3S/c13-12(14,15)8-17(10-1-4-16-5-2-10)11(18)9-3-6-21(19,20)7-9/h9-10,16H,1-8H2
InChIKeyBNINWTPBRNGWRD-UHFFFAOYSA-N
MW328.36 g/mol
LogP0.56
Rot. Bonds3

About 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (PubChem CID 64912128) has the molecular formula C12H19F3N2O3S and a molecular weight of 328.36 g/mol. Its IUPAC name is 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
PubChem CID64912128
Molecular FormulaC12H19F3N2O3S
Molecular Weight328.36 g/mol
Exact Mass328.11
IUPAC Name1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H19F3N2O3S/c13-12(14,15)8-17(10-1-4-16-5-2-10)11(18)9-3-6-21(19,20)7-9/h9-10,16H,1-8H2
InChIKeyBNINWTPBRNGWRD-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (CID 64912128) is 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is O=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The InChIKey is BNINWTPBRNGWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3S/c13-12(14,15)8-17(10-1-4-16-5-2-10)11(18)9-3-6-21(19,20)7-9/h9-10,16H,1-8H2.
What are the key properties of 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is sourced from PubChem (CID 64912128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).