3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide

C7H11F3N2OS — CID 60998058

IUPAC3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13)
InChIKeySPKCIWBOLIYKMC-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.50
Rot. Bonds3

About 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide

3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide (PubChem CID 60998058) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide
PubChem CID60998058
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC Name3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13)
InChIKeySPKCIWBOLIYKMC-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide (CID 60998058) is 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide is NC(=O)C1(NCC(F)(F)F)CCSC1.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide?
The InChIKey is SPKCIWBOLIYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13).
What are the key properties of 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide?
3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide is sourced from PubChem (CID 60998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).