(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone

C17H23NO4S — CID 126800580

IUPAC(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ccccc3S(C)(=O)=O)C2)C1
InChIInChI=1S/C17H23NO4S/c1-3-22-13-10-17(11-13)8-9-18(12-17)16(19)14-6-4-5-7-15(14)23(2,20)21/h4-7,13H,3,8-12H2,1-2H3
InChIKeyHQOZIKMSAWFQIZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.12
Rot. Bonds4

About (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone

(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone (PubChem CID 126800580) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone
PubChem CID126800580
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ccccc3S(C)(=O)=O)C2)C1
InChIInChI=1S/C17H23NO4S/c1-3-22-13-10-17(11-13)8-9-18(12-17)16(19)14-6-4-5-7-15(14)23(2,20)21/h4-7,13H,3,8-12H2,1-2H3
InChIKeyHQOZIKMSAWFQIZ-UHFFFAOYSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone?
The IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone (CID 126800580) is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone is CCOC1CC2(CCN(C(=O)c3ccccc3S(C)(=O)=O)C2)C1.
What is the InChIKey of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone?
The InChIKey is HQOZIKMSAWFQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-3-22-13-10-17(11-13)8-9-18(12-17)16(19)14-6-4-5-7-15(14)23(2,20)21/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone?
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone has a molecular weight of 337.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 126800580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).