4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid

C10H16N2O4S — CID 82908492

IUPAC4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CSCCN2)CCO1
InChIInChI=1S/C10H16N2O4S/c13-9(7-6-17-4-1-11-7)12-2-3-16-8(5-12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyYUGJOEIOYDFBCV-UHFFFAOYSA-N
MW260.31 g/mol
LogP-1.00
Rot. Bonds2

About 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid

4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 82908492) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID82908492
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CSCCN2)CCO1
InChIInChI=1S/C10H16N2O4S/c13-9(7-6-17-4-1-11-7)12-2-3-16-8(5-12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyYUGJOEIOYDFBCV-UHFFFAOYSA-N
XLogP-1.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
4-acetylmorpholine-2-carboxylic acid
CID 20598078
[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322360
6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82916460
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82916453
4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 81450416
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495

Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid (CID 82908492) is 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2CSCCN2)CCO1.
What is the InChIKey of 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is YUGJOEIOYDFBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-9(7-6-17-4-1-11-7)12-2-3-16-8(5-12)10(14)15/h7-8,11H,1-6H2,(H,14,15).
What are the key properties of 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid?
4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 82908492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).