2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C15H22N2O4S — CID 131692753

IUPAC2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)S(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1
InChIInChI=1S/C15H22N2O4S/c1-12(2)22(18,19)17-10-15(11-17)9-13(6-8-20-15)21-14-5-3-4-7-16-14/h3-5,7,12-13H,6,8-11H2,1-2H3
InChIKeyYDSHXMNCNBVICP-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.43
Rot. Bonds4

About 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131692753) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131692753
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)S(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1
InChIInChI=1S/C15H22N2O4S/c1-12(2)22(18,19)17-10-15(11-17)9-13(6-8-20-15)21-14-5-3-4-7-16-14/h3-5,7,12-13H,6,8-11H2,1-2H3
InChIKeyYDSHXMNCNBVICP-UHFFFAOYSA-N
XLogP1.43
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124779208
2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865494
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557
(4-methoxyphenyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131655355
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
(3-fluorocyclobutyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692751
(5-ethyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692680
(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124896021
(4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124912670
(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124822777
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 131692753) is 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is CC(C)S(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.
What is the InChIKey of 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YDSHXMNCNBVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(2)22(18,19)17-10-15(11-17)9-13(6-8-20-15)21-14-5-3-4-7-16-14/h3-5,7,12-13H,6,8-11H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 326.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131692753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).