5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine

C10H18F3NS — CID 107132323

IUPAC5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCSC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)4-1-2-5-14-7-9-3-6-15-8-9/h9,14H,1-8H2
InChIKeyJMVDDTFWNGTVKF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.06
Rot. Bonds6

About 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine

5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine (PubChem CID 107132323) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine
PubChem CID107132323
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCSC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)4-1-2-5-14-7-9-3-6-15-8-9/h9,14H,1-8H2
InChIKeyJMVDDTFWNGTVKF-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199
(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 163878814
2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
2,2,2-trifluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 64166227
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine (CID 107132323) is 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine is FC(F)(F)CCCCNCC1CCSC1.
What is the InChIKey of 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine?
The InChIKey is JMVDDTFWNGTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)4-1-2-5-14-7-9-3-6-15-8-9/h9,14H,1-8H2.
What are the key properties of 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine?
5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107132323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).