4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid

C12H20N2O3S2 — CID 82905305

IUPAC4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCSCC2C(=O)O)CC(C)S1
InChIInChI=1S/C12H20N2O3S2/c1-8-5-13(6-9(2)19-8)12(17)14-3-4-18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyRZGKXHDZJKHNRB-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.43
Rot. Bonds1

About 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid

4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82905305) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82905305
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCSCC2C(=O)O)CC(C)S1
InChIInChI=1S/C12H20N2O3S2/c1-8-5-13(6-9(2)19-8)12(17)14-3-4-18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyRZGKXHDZJKHNRB-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-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

4-(4-methyl-1,4-diazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904538
(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61190888
4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902989
1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430408
4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82906430
4-[4-(trifluoromethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905310
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905850
4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
CID 107175886
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
4-(5-methyloxolane-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900549
3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid (CID 82905305) is 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid is CC1CN(C(=O)N2CCSCC2C(=O)O)CC(C)S1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is RZGKXHDZJKHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8-5-13(6-9(2)19-8)12(17)14-3-4-18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid?
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 304.44 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82905305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).