methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride

C9H16ClNO2S — CID 75485453

IUPACmethyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CSC2(CCCC2)N1.Cl
InChIInChI=1S/C9H15NO2S.ClH/c1-12-8(11)7-6-13-9(10-7)4-2-3-5-9;/h7,10H,2-6H2,1H3;1H
InChIKeyBDZSYUDCUZMBRV-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.56
Rot. Bonds1

About methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride

methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride (PubChem CID 75485453) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
PubChem CID75485453
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Namemethyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CSC2(CCCC2)N1.Cl
InChIInChI=1S/C9H15NO2S.ClH/c1-12-8(11)7-6-13-9(10-7)4-2-3-5-9;/h7,10H,2-6H2,1H3;1H
InChIKeyBDZSYUDCUZMBRV-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride 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 methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride (CID 75485453) is methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride is COC(=O)C1CSC2(CCCC2)N1.Cl.
What is the InChIKey of methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The InChIKey is BDZSYUDCUZMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S.ClH/c1-12-8(11)7-6-13-9(10-7)4-2-3-5-9;/h7,10H,2-6H2,1H3;1H.
What are the key properties of methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride?
methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride has a molecular weight of 237.75 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride is sourced from PubChem (CID 75485453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).