8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane

C14H25NO3S — CID 86805338

IUPAC8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(S(=O)(=O)C3CCOC3C)C2)C1
InChIInChI=1S/C14H25NO3S/c1-11-3-5-14(9-11)6-7-15(10-14)19(16,17)13-4-8-18-12(13)2/h11-13H,3-10H2,1-2H3
InChIKeyJUNOLSKSXLSAJV-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.01
Rot. Bonds2

About 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane

8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane (PubChem CID 86805338) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane
PubChem CID86805338
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(S(=O)(=O)C3CCOC3C)C2)C1
InChIInChI=1S/C14H25NO3S/c1-11-3-5-14(9-11)6-7-15(10-14)19(16,17)13-4-8-18-12(13)2/h11-13H,3-10H2,1-2H3
InChIKeyJUNOLSKSXLSAJV-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane?
The IUPAC name of 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane (CID 86805338) is 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane is CC1CCC2(CCN(S(=O)(=O)C3CCOC3C)C2)C1.
What is the InChIKey of 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane?
The InChIKey is JUNOLSKSXLSAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-11-3-5-14(9-11)6-7-15(10-14)19(16,17)13-4-8-18-12(13)2/h11-13H,3-10H2,1-2H3.
What are the key properties of 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane?
8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane has a molecular weight of 287.43 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methyloxolan-3-yl)sulfonyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 86805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).