N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide

C11H16N2OS — CID 107032625

IUPACN-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
SMILESCCN(Cc1ccccn1)C(=O)CCS
InChIInChI=1S/C11H16N2OS/c1-2-13(11(14)6-8-15)9-10-5-3-4-7-12-10/h3-5,7,15H,2,6,8-9H2,1H3
InChIKeyYJSBBXZPVDBMLK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.75
Rot. Bonds5

About N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide

N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide (PubChem CID 107032625) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
PubChem CID107032625
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
SMILESCCN(Cc1ccccn1)C(=O)CCS
InChIInChI=1S/C11H16N2OS/c1-2-13(11(14)6-8-15)9-10-5-3-4-7-12-10/h3-5,7,15H,2,6,8-9H2,1H3
InChIKeyYJSBBXZPVDBMLK-UHFFFAOYSA-N
XLogP1.75
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
2-(benzimidazol-1-yl)-N-ethyl-N-(pyridin-2-ylmethyl)acetamide
CID 166221588
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
N,N-dipyridin-2-yl-3-sulfanylpropanamide
CID 143415756

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide (CID 107032625) is N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide is CCN(Cc1ccccn1)C(=O)CCS.
What is the InChIKey of N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide?
The InChIKey is YJSBBXZPVDBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-13(11(14)6-8-15)9-10-5-3-4-7-12-10/h3-5,7,15H,2,6,8-9H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide?
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide has a molecular weight of 224.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).