4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid

C13H17N3O3S — CID 82901293

IUPAC4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCSCC2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O3S/c1-2-14-12(17)10-7-9(3-4-15-10)16-5-6-20-8-11(16)13(18)19/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyMRUUYMCKMBWKLR-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.84
Rot. Bonds4

About 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid

4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid (PubChem CID 82901293) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
PubChem CID82901293
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCSCC2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O3S/c1-2-14-12(17)10-7-9(3-4-15-10)16-5-6-20-8-11(16)13(18)19/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyMRUUYMCKMBWKLR-UHFFFAOYSA-N
XLogP0.84
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-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

Related Compounds

1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
CID 61234100
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid (CID 82901293) is 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid is CCNC(=O)c1cc(N2CCSCC2C(=O)O)ccn1.
What is the InChIKey of 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid?
The InChIKey is MRUUYMCKMBWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-14-12(17)10-7-9(3-4-15-10)16-5-6-20-8-11(16)13(18)19/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid?
4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82901293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).