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

C11H20F2N2S — CID 115046721

IUPAC4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H20F2N2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-16-8-2-9/h9-10H,1-8,14H2
InChIKeyJWIOBXRXFYPHTM-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.94
Rot. Bonds2

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

4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine (PubChem CID 115046721) has the molecular formula C11H20F2N2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
PubChem CID115046721
Molecular FormulaC11H20F2N2S
Molecular Weight250.36 g/mol
Exact Mass250.13
IUPAC Name4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H20F2N2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-16-8-2-9/h9-10H,1-8,14H2
InChIKeyJWIOBXRXFYPHTM-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

[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-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103787184
5-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
CID 112737928
1-(2-Piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
CID 114628726
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
4-(Fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115039145

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine (CID 115046721) is 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine is NC1(C(F)F)CCN(C2CCSCC2)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The InChIKey is JWIOBXRXFYPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-16-8-2-9/h9-10H,1-8,14H2.
What are the key properties of 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-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 4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 115046721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).