(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

C12H21NO2S — CID 107774003

IUPAC(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)C1CCCCC12N[C@@H](C(=O)O)CS2
InChIInChI=1S/C12H21NO2S/c1-8(2)9-5-3-4-6-12(9)13-10(7-16-12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t9?,10-,12?/m1/s1
InChIKeyDCMBASYXNFPBJX-SQLBVSGCSA-N
MW243.37 g/mol
LogP2.32
Rot. Bonds2

About (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 107774003) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID107774003
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)C1CCCCC12N[C@@H](C(=O)O)CS2
InChIInChI=1S/C12H21NO2S/c1-8(2)9-5-3-4-6-12(9)13-10(7-16-12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t9?,10-,12?/m1/s1
InChIKeyDCMBASYXNFPBJX-SQLBVSGCSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-6-propan-2-yl-1-thia-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

2-cyclopentyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500639
(3S)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
CID 52997275
(4S)-spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
CID 107773845
(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 104931208
(3S)-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid
CID 107773916
(2S,4S)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 10236061
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773867
4-azaspiro[2.6]nonane-5-carboxylic acid
CID 84653478
(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107773917
6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
CID 80500015

Frequently Asked Questions

What is the IUPAC name of (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (CID 107774003) is (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is CC(C)C1CCCCC12N[C@@H](C(=O)O)CS2.
What is the InChIKey of (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DCMBASYXNFPBJX-SQLBVSGCSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-8(2)9-5-3-4-6-12(9)13-10(7-16-12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t9?,10-,12?/m1/s1.
What are the key properties of (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
(3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 243.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-propan-2-yl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 107774003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).