7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane

C11H21NO3S — CID 110197988

IUPAC7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CCC2(CCC2OC)CC1
InChIInChI=1S/C11H21NO3S/c1-3-16(13,14)12-8-6-11(7-9-12)5-4-10(11)15-2/h10H,3-9H2,1-2H3
InChIKeySVARTUFCMYTQCD-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.23
Rot. Bonds3

About 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane

7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane (PubChem CID 110197988) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane
PubChem CID110197988
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CCC2(CCC2OC)CC1
InChIInChI=1S/C11H21NO3S/c1-3-16(13,14)12-8-6-11(7-9-12)5-4-10(11)15-2/h10H,3-9H2,1-2H3
InChIKeySVARTUFCMYTQCD-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane (CID 110197988) is 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane is CCS(=O)(=O)N1CCC2(CCC2OC)CC1.
What is the InChIKey of 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is SVARTUFCMYTQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-16(13,14)12-8-6-11(7-9-12)5-4-10(11)15-2/h10H,3-9H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane?
7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 247.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 110197988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).