3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide

C13H19N3O3S — CID 110687852

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCc1ccncc1
InChIInChI=1S/C13H19N3O3S/c17-13(15-11-12-3-6-14-7-4-12)5-9-16-8-1-2-10-20(16,18)19/h3-4,6-7H,1-2,5,8-11H2,(H,15,17)
InChIKeyADPARYIYCILXEG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.51
Rot. Bonds5

About 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide

3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110687852) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110687852
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCc1ccncc1
InChIInChI=1S/C13H19N3O3S/c17-13(15-11-12-3-6-14-7-4-12)5-9-16-8-1-2-10-20(16,18)19/h3-4,6-7H,1-2,5,8-11H2,(H,15,17)
InChIKeyADPARYIYCILXEG-UHFFFAOYSA-N
XLogP0.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110687859
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
N-(4-cyanophenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687959
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 110687852) is 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide is O=C(CCN1CCCCS1(=O)=O)NCc1ccncc1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ADPARYIYCILXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-13(15-11-12-3-6-14-7-4-12)5-9-16-8-1-2-10-20(16,18)19/h3-4,6-7H,1-2,5,8-11H2,(H,15,17).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110687852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).