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

C10H18F3NS — CID 102672630

IUPAC2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine
SMILESCC1SCCC1NCCCCC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8-9(4-7-15-8)14-6-3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyBIFCLLADBGOMPS-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds5

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

2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine (PubChem CID 102672630) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine
PubChem CID102672630
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine
SMILESCC1SCCC1NCCCCC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8-9(4-7-15-8)14-6-3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyBIFCLLADBGOMPS-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine (CID 102672630) is 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine is CC1SCCC1NCCCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine?
The InChIKey is BIFCLLADBGOMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8-9(4-7-15-8)14-6-3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine?
2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine is sourced from PubChem (CID 102672630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).