(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone

C12H17NOS — CID 2842657

IUPAC(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C12H17NOS/c1-2-10-6-3-4-8-13(10)12(14)11-7-5-9-15-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyKARCUESJCUWGPP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.15
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone

(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 2842657) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID2842657
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C12H17NOS/c1-2-10-6-3-4-8-13(10)12(14)11-7-5-9-15-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyKARCUESJCUWGPP-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.15
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)-thiophen-2-ylmethanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 2842657) is (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone is CCC1CCCCN1C(=O)c1cccs1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is KARCUESJCUWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-10-6-3-4-8-13(10)12(14)11-7-5-9-15-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone?
(2-ethylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 223.34 g/mol, XLogP of 3.15, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 2842657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).