(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

C13H19NOS — CID 78783962

IUPAC(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(C)s1
InChIInChI=1S/C13H19NOS/c1-3-11-6-4-5-9-14(11)13(15)12-8-7-10(2)16-12/h7-8,11H,3-6,9H2,1-2H3
InChIKeyONDFZUWDLLAXCL-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.46
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 78783962) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID78783962
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(C)s1
InChIInChI=1S/C13H19NOS/c1-3-11-6-4-5-9-14(11)13(15)12-8-7-10(2)16-12/h7-8,11H,3-6,9H2,1-2H3
InChIKeyONDFZUWDLLAXCL-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 78783962) is (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is CCC1CCCCN1C(=O)c1ccc(C)s1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ONDFZUWDLLAXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-11-6-4-5-9-14(11)13(15)12-8-7-10(2)16-12/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
(2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 237.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 78783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).