(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine

C9H18F2N2S — CID 166682652

IUPAC(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
SMILESCN[C@H]1CCN(C(C)SC)CC1(F)F
InChIInChI=1S/C9H18F2N2S/c1-7(14-3)13-5-4-8(12-2)9(10,11)6-13/h7-8,12H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyXVIJMVICONIIPN-MQWKRIRWSA-N
MW224.32 g/mol
LogP1.62
Rot. Bonds3

About (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine

(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine (PubChem CID 166682652) has the molecular formula C9H18F2N2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine.

Molecular Properties

Compound Name(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
PubChem CID166682652
Molecular FormulaC9H18F2N2S
Molecular Weight224.32 g/mol
Exact Mass224.12
IUPAC Name(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
SMILESCN[C@H]1CCN(C(C)SC)CC1(F)F
InChIInChI=1S/C9H18F2N2S/c1-7(14-3)13-5-4-8(12-2)9(10,11)6-13/h7-8,12H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyXVIJMVICONIIPN-MQWKRIRWSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine?
The IUPAC name of (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine (CID 166682652) is (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine.
What is the SMILES notation for (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine?
The canonical SMILES for (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine is CN[C@H]1CCN(C(C)SC)CC1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine?
The InChIKey is XVIJMVICONIIPN-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18F2N2S/c1-7(14-3)13-5-4-8(12-2)9(10,11)6-13/h7-8,12H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine?
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine has a molecular weight of 224.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine is sourced from PubChem (CID 166682652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).