2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine

C8H14F3NS — CID 63115058

IUPAC2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine
SMILESNCC(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NS/c9-8(10,11)7(5-12)13-6-3-1-2-4-6/h6-7H,1-5,12H2
InChIKeyFOMZYUBTWUMWMA-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine

2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine (PubChem CID 63115058) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine
PubChem CID63115058
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine
SMILESNCC(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NS/c9-8(10,11)7(5-12)13-6-3-1-2-4-6/h6-7H,1-5,12H2
InChIKeyFOMZYUBTWUMWMA-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine (CID 63115058) is 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine is NCC(SC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is FOMZYUBTWUMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)7(5-12)13-6-3-1-2-4-6/h6-7H,1-5,12H2.
What are the key properties of 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine?
2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63115058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).