5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine

C7H12F3NS — CID 79942511

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCC1CC(NCC(F)(F)F)CS1
InChIInChI=1S/C7H12F3NS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyOUQYDVHTAGOVKY-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.03
Rot. Bonds2

About 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine

5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 79942511) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID79942511
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCC1CC(NCC(F)(F)F)CS1
InChIInChI=1S/C7H12F3NS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyOUQYDVHTAGOVKY-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 79942511) is 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is CC1CC(NCC(F)(F)F)CS1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is OUQYDVHTAGOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-5-2-6(3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 199.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 79942511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).