8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C13H24N2O4S — CID 17174853

IUPAC8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2
InChIInChI=1S/C13H24N2O4S/c1-20(16,17)15-4-2-13(3-5-15)10-12(11-19-13)14-6-8-18-9-7-14/h12H,2-11H2,1H3
InChIKeyZZNDNJYMJRSVQR-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.10
Rot. Bonds2

About 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 17174853) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID17174853
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2
InChIInChI=1S/C13H24N2O4S/c1-20(16,17)15-4-2-13(3-5-15)10-12(11-19-13)14-6-8-18-9-7-14/h12H,2-11H2,1H3
InChIKeyZZNDNJYMJRSVQR-UHFFFAOYSA-N
XLogP-0.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 17174853) is 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2.
What is the InChIKey of 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZZNDNJYMJRSVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(16,17)15-4-2-13(3-5-15)10-12(11-19-13)14-6-8-18-9-7-14/h12H,2-11H2,1H3.
What are the key properties of 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 304.41 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 17174853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).