2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide

C12H17N3O3S — CID 47205485

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H17N3O3S/c1-10-2-3-13-11(8-10)14-12(16)9-15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14,16)
InChIKeyIJAPBLBBMRTQFJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.06
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 47205485) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID47205485
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H17N3O3S/c1-10-2-3-13-11(8-10)14-12(16)9-15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14,16)
InChIKeyIJAPBLBBMRTQFJ-UHFFFAOYSA-N
XLogP0.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide;hydrochloride
CID 134821648
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94437235
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide (CID 47205485) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is IJAPBLBBMRTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10-2-3-13-11(8-10)14-12(16)9-15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 47205485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).