6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine

C15H18ClN3O2S — CID 163344099

IUPAC6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
SMILESCCS(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-7-5-11(6-8-19)14-4-3-12-9-13(16)10-17-15(12)18-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyFBYLDYSXBUEOIZ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.81
Rot. Bonds3

About 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine

6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine (PubChem CID 163344099) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
PubChem CID163344099
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
SMILESCCS(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-7-5-11(6-8-19)14-4-3-12-9-13(16)10-17-15(12)18-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyFBYLDYSXBUEOIZ-UHFFFAOYSA-N
XLogP2.81
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine?
The IUPAC name of 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine (CID 163344099) is 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine.
What is the SMILES notation for 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine?
The canonical SMILES for 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine is CCS(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine?
The InChIKey is FBYLDYSXBUEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-7-5-11(6-8-19)14-4-3-12-9-13(16)10-17-15(12)18-14/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine?
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine has a molecular weight of 339.85 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 163344099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).