(3R)-thiomorpholine-3-carboxylic acid

C5H9NO2S — CID 1152541

IUPAC(3R)-thiomorpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSCCN1
InChIInChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyJOKIQGQOKXGHDV-BYPYZUCNSA-N
MW147.20 g/mol
LogP-0.22
Rot. Bonds1

About (3R)-thiomorpholine-3-carboxylic acid

(3R)-thiomorpholine-3-carboxylic acid (PubChem CID 1152541) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (3R)-thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-thiomorpholine-3-carboxylic acid
PubChem CID1152541
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(3R)-thiomorpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSCCN1
InChIInChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyJOKIQGQOKXGHDV-BYPYZUCNSA-N
XLogP-0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
Thiomorpholine-3-carboxylic acid
CID 440159
6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 3797863
2-Methylthiazolidine-4-carboxylic acid
CID 160736
5-Methylthiomorpholine-3-carboxylic acid 1-oxide
CID 12305351
(3R)-1,4-thiomorpholine-3-carboxylate
CID 28125548
Tetrahydro-2H-1,3-thiazine-4-carboxylic acid
CID 68797
Cycloalliin
CID 12305353
(2S)-2-acetamido-3-ethylsulfanylpropanoic acid
CID 70695244
(3R)-5-oxothiomorpholine-3-carboxylic acid
CID 773938
S-ethyl-N-acetyl-cysteine
CID 19896458

Frequently Asked Questions

What is the IUPAC name of (3R)-thiomorpholine-3-carboxylic acid?
The IUPAC name of (3R)-thiomorpholine-3-carboxylic acid (CID 1152541) is (3R)-thiomorpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-thiomorpholine-3-carboxylic acid?
The canonical SMILES for (3R)-thiomorpholine-3-carboxylic acid is O=C(O)[C@@H]1CSCCN1.
What is the InChIKey of (3R)-thiomorpholine-3-carboxylic acid?
The InChIKey is JOKIQGQOKXGHDV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (3R)-thiomorpholine-3-carboxylic acid?
(3R)-thiomorpholine-3-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 1152541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).