(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

C24H26N2O3S — CID 58210723

IUPAC(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C24H26N2O3S/c1-2-20-12-5-6-16-26(20)24(27)22-14-8-11-19(25-22)17-30(28,29)23-15-7-10-18-9-3-4-13-21(18)23/h3-4,7-11,13-15,20H,2,5-6,12,16-17H2,1H3
InChIKeyVLYHIYZAPRKLKW-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.61
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (PubChem CID 58210723) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
PubChem CID58210723
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C24H26N2O3S/c1-2-20-12-5-6-16-26(20)24(27)22-14-8-11-19(25-22)17-30(28,29)23-15-7-10-18-9-3-4-13-21(18)23/h3-4,7-11,13-15,20H,2,5-6,12,16-17H2,1H3
InChIKeyVLYHIYZAPRKLKW-UHFFFAOYSA-N
XLogP4.61
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (CID 58210723) is (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The InChIKey is VLYHIYZAPRKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-20-12-5-6-16-26(20)24(27)22-14-8-11-19(25-22)17-30(28,29)23-15-7-10-18-9-3-4-13-21(18)23/h3-4,7-11,13-15,20H,2,5-6,12,16-17H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone has a molecular weight of 422.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 58210723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).