4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid

C10H20N2O2S — CID 114525954

IUPAC4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)CCCN1CCSCC1C(=O)O
InChIInChI=1S/C10H20N2O2S/c1-11(2)4-3-5-12-6-7-15-8-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCUZRLUMESUSJRS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.44
Rot. Bonds5

About 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid

4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid (PubChem CID 114525954) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
PubChem CID114525954
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)CCCN1CCSCC1C(=O)O
InChIInChI=1S/C10H20N2O2S/c1-11(2)4-3-5-12-6-7-15-8-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCUZRLUMESUSJRS-UHFFFAOYSA-N
XLogP0.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid (CID 114525954) is 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid is CN(C)CCCN1CCSCC1C(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid?
The InChIKey is CUZRLUMESUSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11(2)4-3-5-12-6-7-15-8-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid?
4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid has a molecular weight of 232.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 114525954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).