ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate

C10H17NO2S — CID 67852432

IUPACethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate
SMILESCCOC(=O)C1SCCC12CCNC2
InChIInChI=1S/C10H17NO2S/c1-2-13-9(12)8-10(4-6-14-8)3-5-11-7-10/h8,11H,2-7H2,1H3
InChIKeyLHPFLARAKCOQHX-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.03
Rot. Bonds2

About ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate

ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate (PubChem CID 67852432) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate
PubChem CID67852432
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Nameethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate
SMILESCCOC(=O)C1SCCC12CCNC2
InChIInChI=1S/C10H17NO2S/c1-2-13-9(12)8-10(4-6-14-8)3-5-11-7-10/h8,11H,2-7H2,1H3
InChIKeyLHPFLARAKCOQHX-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate
CID 67827597
ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
CID 55278769
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
CID 159520645
ethyl (2R,3S)-2-hydroxy-2-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
CID 11139839
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
ethyl thiirane-2-carboxylate
CID 12518686
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
ethyl 2-azaspiro[4.4]nonane-3-carboxylate
CID 22154621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate (CID 67852432) is ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate is CCOC(=O)C1SCCC12CCNC2.
What is the InChIKey of ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate?
The InChIKey is LHPFLARAKCOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-13-9(12)8-10(4-6-14-8)3-5-11-7-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate?
ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate has a molecular weight of 215.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 67852432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).