4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C15H23N3O3S — CID 118743534

IUPAC4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)N1CCOC2(CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)18-10-11-21-15(13-18)7-5-9-17(12-15)14-6-3-4-8-16-14/h3-4,6,8H,2,5,7,9-13H2,1H3
InChIKeyURRZMNQKCPTKAA-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.10
Rot. Bonds3

About 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118743534) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118743534
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)N1CCOC2(CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)18-10-11-21-15(13-18)7-5-9-17(12-15)14-6-3-4-8-16-14/h3-4,6,8H,2,5,7,9-13H2,1H3
InChIKeyURRZMNQKCPTKAA-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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9-Methylsulfonyl-2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3235321
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2,6-Dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 4882124
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063
N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
3-Methylsulfonyl-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane
CID 3232781
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
US10392376, Example 97
CID 137417928

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118743534) is 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is CCS(=O)(=O)N1CCOC2(CCCN(c3ccccn3)C2)C1.
What is the InChIKey of 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is URRZMNQKCPTKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(19,20)18-10-11-21-15(13-18)7-5-9-17(12-15)14-6-3-4-8-16-14/h3-4,6,8H,2,5,7,9-13H2,1H3.
What are the key properties of 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 325.43 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118743534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).