N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide

C13H19N3OS — CID 82918088

IUPACN-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1CSCCN1
InChIInChI=1S/C13H19N3OS/c1-2-16(9-11-5-3-4-6-14-11)13(17)12-10-18-8-7-15-12/h3-6,12,15H,2,7-10H2,1H3
InChIKeyBNCCCTBPDBBVTK-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.14
Rot. Bonds4

About N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide

N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide (PubChem CID 82918088) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide
PubChem CID82918088
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1CSCCN1
InChIInChI=1S/C13H19N3OS/c1-2-16(9-11-5-3-4-6-14-11)13(17)12-10-18-8-7-15-12/h3-6,12,15H,2,7-10H2,1H3
InChIKeyBNCCCTBPDBBVTK-UHFFFAOYSA-N
XLogP1.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide 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

3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
(3R,4S)-N-ethyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 120941691
N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119314240
N-ethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106975512
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate
CID 100763280
N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624431
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide (CID 82918088) is N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide is CCN(Cc1ccccn1)C(=O)C1CSCCN1.
What is the InChIKey of N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide?
The InChIKey is BNCCCTBPDBBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-16(9-11-5-3-4-6-14-11)13(17)12-10-18-8-7-15-12/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide?
N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82918088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).