2-ethoxy-5-thia-8-azaspiro[3.4]octane

C8H15NOS — CID 106824053

IUPAC2-ethoxy-5-thia-8-azaspiro[3.4]octane
SMILESCCOC1CC2(C1)NCCS2
InChIInChI=1S/C8H15NOS/c1-2-10-7-5-8(6-7)9-3-4-11-8/h7,9H,2-6H2,1H3
InChIKeyCRXIGUFYWHTHRI-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.22
Rot. Bonds2

About 2-ethoxy-5-thia-8-azaspiro[3.4]octane

2-ethoxy-5-thia-8-azaspiro[3.4]octane (PubChem CID 106824053) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-ethoxy-5-thia-8-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-ethoxy-5-thia-8-azaspiro[3.4]octane
PubChem CID106824053
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-ethoxy-5-thia-8-azaspiro[3.4]octane
SMILESCCOC1CC2(C1)NCCS2
InChIInChI=1S/C8H15NOS/c1-2-10-7-5-8(6-7)9-3-4-11-8/h7,9H,2-6H2,1H3
InChIKeyCRXIGUFYWHTHRI-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-1-azaspiro[3.3]heptane
CID 106824536
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
1-thia-4-azaspiro[4.4]nonane
CID 50853175
1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
1-thia-4-azaspiro[4.5]decane
CID 14155910
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047
3-ethoxyazetidine
CID 22507733
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
CID 106824984

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-thia-8-azaspiro[3.4]octane?
The IUPAC name of 2-ethoxy-5-thia-8-azaspiro[3.4]octane (CID 106824053) is 2-ethoxy-5-thia-8-azaspiro[3.4]octane.
What is the SMILES notation for 2-ethoxy-5-thia-8-azaspiro[3.4]octane?
The canonical SMILES for 2-ethoxy-5-thia-8-azaspiro[3.4]octane is CCOC1CC2(C1)NCCS2.
What is the InChIKey of 2-ethoxy-5-thia-8-azaspiro[3.4]octane?
The InChIKey is CRXIGUFYWHTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-10-7-5-8(6-7)9-3-4-11-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-ethoxy-5-thia-8-azaspiro[3.4]octane?
2-ethoxy-5-thia-8-azaspiro[3.4]octane has a molecular weight of 173.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-thia-8-azaspiro[3.4]octane is sourced from PubChem (CID 106824053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).