[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine

C12H22F2N2S — CID 115049258

IUPAC[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(C(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H22F2N2S/c13-11(14)12(9-15)3-5-16(6-4-12)10-1-7-17-8-2-10/h10-11H,1-9,15H2
InChIKeyKZTNFNCAJDGWQV-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.19
Rot. Bonds3

About [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine

[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine (PubChem CID 115049258) has the molecular formula C12H22F2N2S and a molecular weight of 264.38 g/mol. Its IUPAC name is [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
PubChem CID115049258
Molecular FormulaC12H22F2N2S
Molecular Weight264.38 g/mol
Exact Mass264.15
IUPAC Name[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(C(F)F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H22F2N2S/c13-11(14)12(9-15)3-5-16(6-4-12)10-1-7-17-8-2-10/h10-11H,1-9,15H2
InChIKeyKZTNFNCAJDGWQV-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.19
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-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
[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
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
5-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
CID 112737928
4,4-dimethyl-N-(5,5,5-trifluoropentyl)thian-3-amine
CID 113327031
1-(2-Piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
CID 114628726
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
4-(Fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115039145
[4-Fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115039146

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine (CID 115049258) is [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine is NCC1(C(F)F)CCN(C2CCSCC2)CC1.
What is the InChIKey of [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The InChIKey is KZTNFNCAJDGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2S/c13-11(14)12(9-15)3-5-16(6-4-12)10-1-7-17-8-2-10/h10-11H,1-9,15H2.
What are the key properties of [4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
[4-(difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine has a molecular weight of 264.38 g/mol, XLogP of 2.19, 3 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-yl]methanamine is sourced from PubChem (CID 115049258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).