10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C15H23N3O3S — CID 118743872

IUPAC10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)18-9-10-21-13-15(12-18)6-8-17(11-15)14-5-3-4-7-16-14/h3-5,7H,2,6,8-13H2,1H3
InChIKeySBJMFXXHYIATFO-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.96
Rot. Bonds3

About 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118743872) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118743872
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)18-9-10-21-13-15(12-18)6-8-17(11-15)14-5-3-4-7-16-14/h3-5,7H,2,6,8-13H2,1H3
InChIKeySBJMFXXHYIATFO-UHFFFAOYSA-N
XLogP0.96
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118743872) is 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is CCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is SBJMFXXHYIATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(19,20)18-9-10-21-13-15(12-18)6-8-17(11-15)14-5-3-4-7-16-14/h3-5,7H,2,6,8-13H2,1H3.
What are the key properties of 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 325.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118743872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).