4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid

C8H15NO3S — CID 164654277

IUPAC4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid
SMILESCC(CO)N1CCSC(C(=O)O)C1
InChIInChI=1S/C8H15NO3S/c1-6(5-10)9-2-3-13-7(4-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyFZPJLSKMQFMSAI-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.13
Rot. Bonds3

About 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid

4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid (PubChem CID 164654277) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid
PubChem CID164654277
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid
SMILESCC(CO)N1CCSC(C(=O)O)C1
InChIInChI=1S/C8H15NO3S/c1-6(5-10)9-2-3-13-7(4-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyFZPJLSKMQFMSAI-UHFFFAOYSA-N
XLogP-0.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-hydroxypropan-2-yl)thiomorpholine-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid?
The IUPAC name of 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid (CID 164654277) is 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid is CC(CO)N1CCSC(C(=O)O)C1.
What is the InChIKey of 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid?
The InChIKey is FZPJLSKMQFMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(5-10)9-2-3-13-7(4-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid?
4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid has a molecular weight of 205.28 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-yl)thiomorpholine-2-carboxylic acid is sourced from PubChem (CID 164654277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).