9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane

C9H17NO3S — CID 71968561

IUPAC9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C9H17NO3S/c1-14(11,12)10-6-7-13-9(8-10)4-2-3-5-9/h2-8H2,1H3
InChIKeyTTWIXHBMIKOJDP-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.59
Rot. Bonds1

About 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane

9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71968561) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID71968561
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C9H17NO3S/c1-14(11,12)10-6-7-13-9(8-10)4-2-3-5-9/h2-8H2,1H3
InChIKeyTTWIXHBMIKOJDP-UHFFFAOYSA-N
XLogP0.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane (CID 71968561) is 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane is CS(=O)(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is TTWIXHBMIKOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-14(11,12)10-6-7-13-9(8-10)4-2-3-5-9/h2-8H2,1H3.
What are the key properties of 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane?
9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 219.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).