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

C13H23F3N2S — CID 80599968

IUPACN-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCCS2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)10-18-6-4-11(5-7-18)17-9-12-3-1-2-8-19-12/h11-12,17H,1-10H2
InChIKeyDFHSCZKVRZLBJZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.89
Rot. Bonds4

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

N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 80599968) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID80599968
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC NameN-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCCS2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)10-18-6-4-11(5-7-18)17-9-12-3-1-2-8-19-12/h11-12,17H,1-10H2
InChIKeyDFHSCZKVRZLBJZ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 66004496
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
1-oxo-N-(thian-2-ylmethyl)thian-4-amine
CID 80600452
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115726551
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
CID 60894007
2,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidin-1-amine
CID 83009533
4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80583942

Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 80599968) is N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCCCS2)CC1.
What is the InChIKey of N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is DFHSCZKVRZLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c14-13(15,16)10-18-6-4-11(5-7-18)17-9-12-3-1-2-8-19-12/h11-12,17H,1-10H2.
What are the key properties of N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 80599968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).