ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate

C12H21NO4S — CID 59333125

IUPACethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate
SMILESCCOC(=O)C1CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-3-17-11(14)10-8-12(9-10)4-6-13(7-5-12)18(2,15)16/h10H,3-9H2,1-2H3
InChIKeyGLXGICDBTZMSAD-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.00
Rot. Bonds3

About ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate

ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 59333125) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate
PubChem CID59333125
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Nameethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate
SMILESCCOC(=O)C1CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-3-17-11(14)10-8-12(9-10)4-6-13(7-5-12)18(2,15)16/h10H,3-9H2,1-2H3
InChIKeyGLXGICDBTZMSAD-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate (CID 59333125) is ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate is CCOC(=O)C1CC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is GLXGICDBTZMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-3-17-11(14)10-8-12(9-10)4-6-13(7-5-12)18(2,15)16/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate?
ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 59333125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).