2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H13F3N2OS — CID 107132967

IUPAC2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)4-13-6(7(12)14)5-1-2-15-3-5/h5-6,13H,1-4H2,(H2,12,14)
InChIKeyRQPCTRXLXPPBND-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.75
Rot. Bonds4

About 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 107132967) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID107132967
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)4-13-6(7(12)14)5-1-2-15-3-5/h5-6,13H,1-4H2,(H2,12,14)
InChIKeyRQPCTRXLXPPBND-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 107132967) is 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)C1CCSC1.
What is the InChIKey of 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RQPCTRXLXPPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)4-13-6(7(12)14)5-1-2-15-3-5/h5-6,13H,1-4H2,(H2,12,14).
What are the key properties of 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 242.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 107132967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).