4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane

C15H22N2O4S — CID 91915838

IUPAC4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2
InChIInChI=1S/C15H22N2O4S/c1-20-11-13-10-17(12-15(13)4-7-21-8-5-15)22(18,19)14-3-2-6-16-9-14/h2-3,6,9,13H,4-5,7-8,10-12H2,1H3
InChIKeyXYRIFPVKIDWUQS-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.15
Rot. Bonds4

About 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane

4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane (PubChem CID 91915838) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane
PubChem CID91915838
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2
InChIInChI=1S/C15H22N2O4S/c1-20-11-13-10-17(12-15(13)4-7-21-8-5-15)22(18,19)14-3-2-6-16-9-14/h2-3,6,9,13H,4-5,7-8,10-12H2,1H3
InChIKeyXYRIFPVKIDWUQS-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane (CID 91915838) is 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2.
What is the InChIKey of 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is XYRIFPVKIDWUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-20-11-13-10-17(12-15(13)4-7-21-8-5-15)22(18,19)14-3-2-6-16-9-14/h2-3,6,9,13H,4-5,7-8,10-12H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane?
4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 326.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 91915838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).