(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid

C8H13NO4S2 — CID 107773867

IUPAC(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCS(=O)(=O)CC2)N1
InChIInChI=1S/C8H13NO4S2/c10-7(11)6-5-14-8(9-6)1-3-15(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyKPTCWDWWYSVPAD-ZCFIWIBFSA-N
MW251.33 g/mol
LogP-0.32
Rot. Bonds1

About (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid

(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 107773867) has the molecular formula C8H13NO4S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID107773867
Molecular FormulaC8H13NO4S2
Molecular Weight251.33 g/mol
Exact Mass251.03
IUPAC Name(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCS(=O)(=O)CC2)N1
InChIInChI=1S/C8H13NO4S2/c10-7(11)6-5-14-8(9-6)1-3-15(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyKPTCWDWWYSVPAD-ZCFIWIBFSA-N
XLogP-0.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid 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

(3S)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
CID 52997275
(3S)-1,8-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773898
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
CID 80500015
(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 1239785
(3S)-7,9-dimethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773971
(3R)-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 11694674
methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
CID 75485453
(2S,4S)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 10236061
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(3S)-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid
CID 107773916
(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
CID 169318375

Frequently Asked Questions

What is the IUPAC name of (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid (CID 107773867) is (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CSC2(CCS(=O)(=O)CC2)N1.
What is the InChIKey of (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KPTCWDWWYSVPAD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO4S2/c10-7(11)6-5-14-8(9-6)1-3-15(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1.
What are the key properties of (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid?
(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 107773867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).