2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane

C8H15NO3S — CID 130670173

IUPAC2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c1-13(10,11)9-6-8(7-9)2-4-12-5-3-8/h2-7H2,1H3
InChIKeyKENUSLMGVCOCLZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.06
Rot. Bonds1

About 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane

2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 130670173) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
PubChem CID130670173
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c1-13(10,11)9-6-8(7-9)2-4-12-5-3-8/h2-7H2,1H3
InChIKeyKENUSLMGVCOCLZ-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane (CID 130670173) is 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane is CS(=O)(=O)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is KENUSLMGVCOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(10,11)9-6-8(7-9)2-4-12-5-3-8/h2-7H2,1H3.
What are the key properties of 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane?
2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 205.28 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 130670173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).