8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C15H27NO5S — CID 118739209

IUPAC8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C15H27NO5S/c1-22(17,18)16-6-4-15(5-7-16)10-14(12-21-15)20-11-13-2-8-19-9-3-13/h13-14H,2-12H2,1H3
InChIKeyAFMNCBFYCIRCGQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.01
Rot. Bonds4

About 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118739209) has the molecular formula C15H27NO5S and a molecular weight of 333.45 g/mol. Its IUPAC name is 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118739209
Molecular FormulaC15H27NO5S
Molecular Weight333.45 g/mol
Exact Mass333.16
IUPAC Name8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C15H27NO5S/c1-22(17,18)16-6-4-15(5-7-16)10-14(12-21-15)20-11-13-2-8-19-9-3-13/h13-14H,2-12H2,1H3
InChIKeyAFMNCBFYCIRCGQ-UHFFFAOYSA-N
XLogP1.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 118739209) is 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2.
What is the InChIKey of 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is AFMNCBFYCIRCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S/c1-22(17,18)16-6-4-15(5-7-16)10-14(12-21-15)20-11-13-2-8-19-9-3-13/h13-14H,2-12H2,1H3.
What are the key properties of 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 333.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118739209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).