1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine

C11H20F2N2S — CID 115714951

IUPAC1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine
SMILESFC(F)CN1CCC(NC2CCSC2)CC1
InChIInChI=1S/C11H20F2N2S/c12-11(13)7-15-4-1-9(2-5-15)14-10-3-6-16-8-10/h9-11,14H,1-8H2
InChIKeyPWUMCUYPEAEDPO-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.81
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine

1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine (PubChem CID 115714951) has the molecular formula C11H20F2N2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine
PubChem CID115714951
Molecular FormulaC11H20F2N2S
Molecular Weight250.36 g/mol
Exact Mass250.13
IUPAC Name1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine
SMILESFC(F)CN1CCC(NC2CCSC2)CC1
InChIInChI=1S/C11H20F2N2S/c12-11(13)7-15-4-1-9(2-5-15)14-10-3-6-16-8-10/h9-11,14H,1-8H2
InChIKeyPWUMCUYPEAEDPO-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]ethanethiol
CID 144503704
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
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
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852772
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420357

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine (CID 115714951) is 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine is FC(F)CN1CCC(NC2CCSC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is PWUMCUYPEAEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2S/c12-11(13)7-15-4-1-9(2-5-15)14-10-3-6-16-8-10/h9-11,14H,1-8H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine?
1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 115714951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).