5-methylthiomorpholine-3-carboxylic acid

C6H11NO2S — CID 12858837

IUPAC5-methylthiomorpholine-3-carboxylic acid
SMILESCC1CSCC(C(=O)O)N1
InChIInChI=1S/C6H11NO2S/c1-4-2-10-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyOGAZLBFLUHPSRJ-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.16
Rot. Bonds1

About 5-methylthiomorpholine-3-carboxylic acid

5-methylthiomorpholine-3-carboxylic acid (PubChem CID 12858837) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 5-methylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-methylthiomorpholine-3-carboxylic acid
PubChem CID12858837
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name5-methylthiomorpholine-3-carboxylic acid
SMILESCC1CSCC(C(=O)O)N1
InChIInChI=1S/C6H11NO2S/c1-4-2-10-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyOGAZLBFLUHPSRJ-UHFFFAOYSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,S-Diacetylcysteine
CID 65690
(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
Thiomorpholine-3-carboxylic acid
CID 440159
N-Acetyl-S-methyl-L-cysteine
CID 13893975
N-methyl-L-methionine
CID 6451891
6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 3797863
(S)-2-(Isopropylamino)-3-mercaptopropanoic acid
CID 11768888
(R)-2-Isopropylamino-3-mercapto-propionic acid
CID 11062712
2-Methylthiazolidine-4-carboxylic acid
CID 160736
5-Methylthiomorpholine-3-carboxylic acid 1-oxide
CID 12305351
(3R)-1,4-thiomorpholine-3-carboxylate
CID 28125548

Frequently Asked Questions

What is the IUPAC name of 5-methylthiomorpholine-3-carboxylic acid?
The IUPAC name of 5-methylthiomorpholine-3-carboxylic acid (CID 12858837) is 5-methylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for 5-methylthiomorpholine-3-carboxylic acid?
The canonical SMILES for 5-methylthiomorpholine-3-carboxylic acid is CC1CSCC(C(=O)O)N1.
What is the InChIKey of 5-methylthiomorpholine-3-carboxylic acid?
The InChIKey is OGAZLBFLUHPSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-2-10-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-methylthiomorpholine-3-carboxylic acid?
5-methylthiomorpholine-3-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 12858837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).