3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine

C11H20F2N2S — CID 115046720

IUPAC3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
SMILESNC1(C(F)F)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H20F2N2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-16-7-3-9/h9-10H,1-8,14H2
InChIKeyKTNCRYNOHNGFDZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.94
Rot. Bonds2

About 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine

3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine (PubChem CID 115046720) has the molecular formula C11H20F2N2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
PubChem CID115046720
Molecular FormulaC11H20F2N2S
Molecular Weight250.36 g/mol
Exact Mass250.13
IUPAC Name3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
SMILESNC1(C(F)F)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H20F2N2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-16-7-3-9/h9-10H,1-8,14H2
InChIKeyKTNCRYNOHNGFDZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.94
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
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 65376561
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
[4,4-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79952648
[5,5-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79953982
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79956887
3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916519
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
6,6,6-Trifluoro-2-methyl-2-(2-methylthiomorpholin-4-yl)hexan-1-amine
CID 113533897

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine (CID 115046720) is 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine is NC1(C(F)F)CCCN(C2CCSCC2)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The InChIKey is KTNCRYNOHNGFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-16-7-3-9/h9-10H,1-8,14H2.
What are the key properties of 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine has a molecular weight of 250.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(thian-4-yl)piperidin-3-amine is sourced from PubChem (CID 115046720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).