methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride

C8H14ClNO2S — CID 136576231

IUPACmethyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride
SMILESCOC(=O)C1CCSC12CNC2.Cl
InChIInChI=1S/C8H13NO2S.ClH/c1-11-7(10)6-2-3-12-8(6)4-9-5-8;/h6,9H,2-5H2,1H3;1H
InChIKeyRVMQZNWSRQVYEV-UHFFFAOYSA-N
MW223.72 g/mol
LogP0.68
Rot. Bonds1

About methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride

methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride (PubChem CID 136576231) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride
PubChem CID136576231
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Namemethyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride
SMILESCOC(=O)C1CCSC12CNC2.Cl
InChIInChI=1S/C8H13NO2S.ClH/c1-11-7(10)6-2-3-12-8(6)4-9-5-8;/h6,9H,2-5H2,1H3;1H
InChIKeyRVMQZNWSRQVYEV-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride?
The IUPAC name of methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride (CID 136576231) is methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride is COC(=O)C1CCSC12CNC2.Cl.
What is the InChIKey of methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride?
The InChIKey is RVMQZNWSRQVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S.ClH/c1-11-7(10)6-2-3-12-8(6)4-9-5-8;/h6,9H,2-5H2,1H3;1H.
What are the key properties of methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride?
methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride has a molecular weight of 223.72 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate;hydrochloride is sourced from PubChem (CID 136576231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).