N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine

C12H20F3NS — CID 55129690

IUPACN-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
SMILESFC(F)(F)C1CCCCC1NC1CCCSC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-9-4-3-7-17-8-9/h9-11,16H,1-8H2
InChIKeyZXCNXTWJJYJLTR-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.59
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine

N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine (PubChem CID 55129690) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
PubChem CID55129690
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
SMILESFC(F)(F)C1CCCCC1NC1CCCSC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-9-4-3-7-17-8-9/h9-11,16H,1-8H2
InChIKeyZXCNXTWJJYJLTR-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine (CID 55129690) is N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine is FC(F)(F)C1CCCCC1NC1CCCSC1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine?
The InChIKey is ZXCNXTWJJYJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-9-4-3-7-17-8-9/h9-11,16H,1-8H2.
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine?
N-[2-(trifluoromethyl)cyclohexyl]thian-3-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-[2-(trifluoromethyl)cyclohexyl]thian-3-amine is sourced from PubChem (CID 55129690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).