N-[2-(trifluoromethyl)phenyl]thian-4-amine

C12H14F3NS — CID 43511244

IUPACN-[2-(trifluoromethyl)phenyl]thian-4-amine
SMILESFC(F)(F)c1ccccc1NC1CCSCC1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-9-5-7-17-8-6-9/h1-4,9,16H,5-8H2
InChIKeyNKIAGDPAAMRFSZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.01
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]thian-4-amine

N-[2-(trifluoromethyl)phenyl]thian-4-amine (PubChem CID 43511244) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]thian-4-amine
PubChem CID43511244
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]thian-4-amine
SMILESFC(F)(F)c1ccccc1NC1CCSCC1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-9-5-7-17-8-6-9/h1-4,9,16H,5-8H2
InChIKeyNKIAGDPAAMRFSZ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
CID 4711830
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
N-(2,3-dimethylphenyl)thian-4-amine
CID 43511316
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
N-(2-thiophen-2-ylphenyl)thian-4-amine
CID 43724571
N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
CID 84593860
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]thian-4-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]thian-4-amine (CID 43511244) is N-[2-(trifluoromethyl)phenyl]thian-4-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]thian-4-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]thian-4-amine is FC(F)(F)c1ccccc1NC1CCSCC1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]thian-4-amine?
The InChIKey is NKIAGDPAAMRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-9-5-7-17-8-6-9/h1-4,9,16H,5-8H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]thian-4-amine?
N-[2-(trifluoromethyl)phenyl]thian-4-amine has a molecular weight of 261.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]thian-4-amine is sourced from PubChem (CID 43511244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).