N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2S — CID 107166114

IUPACN-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCSC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2
InChIKeySONCPWNCEACTRH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.36
Rot. Bonds4

About N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 107166114) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID107166114
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC NameN-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCSC2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2
InChIKeySONCPWNCEACTRH-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
3-Fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
CID 176943216
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927167
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
1-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54981437
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
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
3,3,3-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420561

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 107166114) is N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCSC2)CC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SONCPWNCEACTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2.
What are the key properties of N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 107166114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).