1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine

C10H18F3NS — CID 65138549

IUPAC1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CSC1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)6-5-8(14)7-15-9-3-1-2-4-9/h8-9H,1-7,14H2
InChIKeyITHPLTAKRZCISA-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds5

About 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine

1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine (PubChem CID 65138549) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine
PubChem CID65138549
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CSC1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)6-5-8(14)7-15-9-3-1-2-4-9/h8-9H,1-7,14H2
InChIKeyITHPLTAKRZCISA-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-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 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine (CID 65138549) is 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is ITHPLTAKRZCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)6-5-8(14)7-15-9-3-1-2-4-9/h8-9H,1-7,14H2.
What are the key properties of 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine?
1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 65138549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).