5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine

C8H14F3NS — CID 79950682

IUPAC5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESCC1CC(NCCC(F)(F)F)CS1
InChIInChI=1S/C8H14F3NS/c1-6-4-7(5-13-6)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyADWVKPAIOPVOTQ-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.42
Rot. Bonds3

About 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine

5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine (PubChem CID 79950682) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
PubChem CID79950682
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESCC1CC(NCCC(F)(F)F)CS1
InChIInChI=1S/C8H14F3NS/c1-6-4-7(5-13-6)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyADWVKPAIOPVOTQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine (CID 79950682) is 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine is CC1CC(NCCC(F)(F)F)CS1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The InChIKey is ADWVKPAIOPVOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-6-4-7(5-13-6)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine has a molecular weight of 213.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine is sourced from PubChem (CID 79950682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).