[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine

C12H20N2S — CID 95328752

IUPAC[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)CCCN2C)s1
InChIInChI=1S/C12H20N2S/c1-9-5-6-11(15-9)12-10(8-13)4-3-7-14(12)2/h5-6,10,12H,3-4,7-8,13H2,1-2H3/t10-,12+/m1/s1
InChIKeyZUHFLQAVEZRCIN-PWSUYJOCSA-N
MW224.37 g/mol
LogP2.40
Rot. Bonds2

About [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine

[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine (PubChem CID 95328752) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
PubChem CID95328752
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)CCCN2C)s1
InChIInChI=1S/C12H20N2S/c1-9-5-6-11(15-9)12-10(8-13)4-3-7-14(12)2/h5-6,10,12H,3-4,7-8,13H2,1-2H3/t10-,12+/m1/s1
InChIKeyZUHFLQAVEZRCIN-PWSUYJOCSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine (CID 95328752) is [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine is Cc1ccc([C@@H]2[C@@H](CN)CCCN2C)s1.
What is the InChIKey of [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine?
The InChIKey is ZUHFLQAVEZRCIN-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-5-6-11(15-9)12-10(8-13)4-3-7-14(12)2/h5-6,10,12H,3-4,7-8,13H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine?
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 95328752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).