5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine

C10H18F3NS — CID 105156348

IUPAC5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2
InChIKeyNNDALWRANNJBRN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.19
Rot. Bonds4

About 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine

5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine (PubChem CID 105156348) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
PubChem CID105156348
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2
InChIKeyNNDALWRANNJBRN-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-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 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine (CID 105156348) is 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine is NC(CCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine?
The InChIKey is NNDALWRANNJBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2.
What are the key properties of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine?
5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105156348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).