N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2S — CID 115603238

IUPACN-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-18-8-4-11/h10-11,16H,1-9H2
InChIKeyLNWKPOXFGFJLHD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.50
Rot. Bonds3

About N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115603238) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115603238
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC NameN-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-18-8-4-11/h10-11,16H,1-9H2
InChIKeyLNWKPOXFGFJLHD-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
2-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]ethanethiol
CID 144503704
cis-(1S,6S)-6-(1-ethylpiperidin-4-yl)sulfanyl-2,2-difluorocyclohexan-1-amine
CID 156429579
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfanylcyclohexan-1-amine
CID 156745956
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
3-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66419968

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115603238) is N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NC2CCSCC2)CC1.
What is the InChIKey of N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LNWKPOXFGFJLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-18-8-4-11/h10-11,16H,1-9H2.
What are the key properties of N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115603238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).