[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

C13H20N2O2S — CID 124596288

IUPAC[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC[C@H](C)[C@@H]1CN
InChIInChI=1S/C13H20N2O2S/c1-9-4-3-6-15(10(9)8-14)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3/t9-,10-/m0/s1
InChIKeySSKSDYPYKHKOND-UWVGGRQHSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds3

About [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (PubChem CID 124596288) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
PubChem CID124596288
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC[C@H](C)[C@@H]1CN
InChIInChI=1S/C13H20N2O2S/c1-9-4-3-6-15(10(9)8-14)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3/t9-,10-/m0/s1
InChIKeySSKSDYPYKHKOND-UWVGGRQHSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (CID 124596288) is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)N1CCC[C@H](C)[C@@H]1CN.
What is the InChIKey of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The InChIKey is SSKSDYPYKHKOND-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-4-3-6-15(10(9)8-14)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 124596288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).