[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone

C13H24N2OS — CID 81452756

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1CCCN(C(=O)C2(C)CCCS2)C1CN
InChIInChI=1S/C13H24N2OS/c1-10-5-3-7-15(11(10)9-14)12(16)13(2)6-4-8-17-13/h10-11H,3-9,14H2,1-2H3
InChIKeyVUTCADYROXKVSR-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.86
Rot. Bonds2

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81452756) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID81452756
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1CCCN(C(=O)C2(C)CCCS2)C1CN
InChIInChI=1S/C13H24N2OS/c1-10-5-3-7-15(11(10)9-14)12(16)13(2)6-4-8-17-13/h10-11H,3-9,14H2,1-2H3
InChIKeyVUTCADYROXKVSR-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone (CID 81452756) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone is CC1CCCN(C(=O)C2(C)CCCS2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is VUTCADYROXKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-5-3-7-15(11(10)9-14)12(16)13(2)6-4-8-17-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 256.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81452756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).