2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide

C11H16N2O2S — CID 125498117

IUPAC2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide
SMILESCC(C)(C)C(=O)N=[S@@](C)(=O)c1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)10(14)13-16(4,15)9-7-5-6-8-12-9/h5-8H,1-4H3/t16-/m0/s1
InChIKeyVAMZEHPGPQBWFO-INIZCTEOSA-N
MW240.33 g/mol
LogP2.11
Rot. Bonds1

About 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide

2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide (PubChem CID 125498117) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide
PubChem CID125498117
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide
SMILESCC(C)(C)C(=O)N=[S@@](C)(=O)c1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)10(14)13-16(4,15)9-7-5-6-8-12-9/h5-8H,1-4H3/t16-/m0/s1
InChIKeyVAMZEHPGPQBWFO-INIZCTEOSA-N
XLogP2.11
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)cyclobutane-1-carboxamide
CID 135074226
2-(tribromomethylsulfonyl)pyridine
CID 159318212
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
[5-fluoro-2-[2-[(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)amino]-2-oxoethyl]phenyl] acetate
CID 135067043
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide
CID 67698649
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
CID 175476137
CID 175476137

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide?
The IUPAC name of 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide (CID 125498117) is 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide is CC(C)(C)C(=O)N=[S@@](C)(=O)c1ccccn1.
What is the InChIKey of 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide?
The InChIKey is VAMZEHPGPQBWFO-INIZCTEOSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)10(14)13-16(4,15)9-7-5-6-8-12-9/h5-8H,1-4H3/t16-/m0/s1.
What are the key properties of 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide?
2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide has a molecular weight of 240.33 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide is sourced from PubChem (CID 125498117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).