N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine

C12H20F3NS — CID 43434641

IUPACN-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
SMILESFC(F)(F)C1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)9-1-3-10(4-2-9)16-11-5-7-17-8-6-11/h9-11,16H,1-8H2
InChIKeyTXJYYOBAPOWDKE-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.59
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine

N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine (PubChem CID 43434641) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
PubChem CID43434641
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
SMILESFC(F)(F)C1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)9-1-3-10(4-2-9)16-11-5-7-17-8-6-11/h9-11,16H,1-8H2
InChIKeyTXJYYOBAPOWDKE-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(trifluoromethyl)cyclohexyl]thian-4-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 N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine (CID 43434641) is N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine is FC(F)(F)C1CCC(NC2CCSCC2)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine?
The InChIKey is TXJYYOBAPOWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c13-12(14,15)9-1-3-10(4-2-9)16-11-5-7-17-8-6-11/h9-11,16H,1-8H2.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine?
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine is sourced from PubChem (CID 43434641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).