2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine

C8H14F3NS2 — CID 102671602

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine
SMILESCC1SCCC1NCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyHYFQQBMCXMHLGL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine (PubChem CID 102671602) has the molecular formula C8H14F3NS2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine
PubChem CID102671602
Molecular FormulaC8H14F3NS2
Molecular Weight245.33 g/mol
Exact Mass245.05
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine
SMILESCC1SCCC1NCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyHYFQQBMCXMHLGL-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine (CID 102671602) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine is CC1SCCC1NCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine?
The InChIKey is HYFQQBMCXMHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 102671602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).