(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride

C7H12ClNO2S2 — CID 12811395

IUPAC(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C7H11NO2S2.ClH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1
InChIKeyWZMQRPYFALOOHU-JEDNCBNOSA-N
MW241.76 g/mol
LogP1.03
Rot. Bonds1

About (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride

(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride (PubChem CID 12811395) has the molecular formula C7H12ClNO2S2 and a molecular weight of 241.76 g/mol. Its IUPAC name is (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride
PubChem CID12811395
Molecular FormulaC7H12ClNO2S2
Molecular Weight241.76 g/mol
Exact Mass241.00
IUPAC Name(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C7H11NO2S2.ClH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1
InChIKeyWZMQRPYFALOOHU-JEDNCBNOSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;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 (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride?
The IUPAC name of (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride (CID 12811395) is (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride.
What is the SMILES notation for (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride?
The canonical SMILES for (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC2(CN1)SCCS2.
What is the InChIKey of (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride?
The InChIKey is WZMQRPYFALOOHU-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H11NO2S2.ClH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1.
What are the key properties of (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride?
(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 12811395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).