N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H19F3N2O5S — CID 86771251

IUPACN-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCOC2(CCS(=O)(=O)C2)C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H19F3N2O5S/c17-16(18,19)9-25-13-2-1-11(8-20-13)14(22)21-12-3-5-26-15(7-12)4-6-27(23,24)10-15/h1-2,8,12H,3-7,9-10H2,(H,21,22)
InChIKeyPWJCMVSOGXXVIQ-UHFFFAOYSA-N
MW408.40 g/mol
LogP1.49
Rot. Bonds4

About N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 86771251) has the molecular formula C16H19F3N2O5S and a molecular weight of 408.40 g/mol. Its IUPAC name is N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID86771251
Molecular FormulaC16H19F3N2O5S
Molecular Weight408.40 g/mol
Exact Mass408.10
IUPAC NameN-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCOC2(CCS(=O)(=O)C2)C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H19F3N2O5S/c17-16(18,19)9-25-13-2-1-11(8-20-13)14(22)21-12-3-5-26-15(7-12)4-6-27(23,24)10-15/h1-2,8,12H,3-7,9-10H2,(H,21,22)
InChIKeyPWJCMVSOGXXVIQ-UHFFFAOYSA-N
XLogP1.49
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 86771251) is N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NC1CCOC2(CCS(=O)(=O)C2)C1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PWJCMVSOGXXVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O5S/c17-16(18,19)9-25-13-2-1-11(8-20-13)14(22)21-12-3-5-26-15(7-12)4-6-27(23,24)10-15/h1-2,8,12H,3-7,9-10H2,(H,21,22).
What are the key properties of N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 408.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 86771251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).