N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2S — CID 115726551

IUPACN-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCCSC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-11-2-1-7-18-8-11/h10-11,16H,1-9H2
InChIKeyVJZQWQDLKIQCPP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.50
Rot. Bonds3

About N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115726551) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115726551
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC NameN-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCCSC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-11-2-1-7-18-8-11/h10-11,16H,1-9H2
InChIKeyVJZQWQDLKIQCPP-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

4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
CID 62871995
N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103786766
N-(3-ethyl-2-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64922310
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 62960937
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-spiro[4.5]decan-8-ylthian-3-amine
CID 114817932
1-(2-methylprop-2-enyl)-N-(thiolan-3-yl)piperidin-4-amine
CID 115717918
tert-butyl (4S)-4-[[(3S)-thian-3-yl]amino]azepane-1-carboxylate
CID 99718881

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115726551) is N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NC2CCCSC2)CC1.
What is the InChIKey of N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is VJZQWQDLKIQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-11-2-1-7-18-8-11/h10-11,16H,1-9H2.
What are the key properties of N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thian-3-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-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115726551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).