2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

C16H23N3O4S2 — CID 8834834

IUPAC2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)c1C(N)=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O4S2/c1-4-19(12-5-6-25(22,23)9-12)13(20)8-24-16-14(15(17)21)10(2)7-11(3)18-16/h7,12H,4-6,8-9H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyYIWMCRNACOQPHD-GFCCVEGCSA-N
MW385.51 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 8834834) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID8834834
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)c1C(N)=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O4S2/c1-4-19(12-5-6-25(22,23)9-12)13(20)8-24-16-14(15(17)21)10(2)7-11(3)18-16/h7,12H,4-6,8-9H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyYIWMCRNACOQPHD-GFCCVEGCSA-N
XLogP0.93
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7906950
2-(3,4-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78765552
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55426724
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9373854
2-(4-aminophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 43299072
N-[(2S)-butan-2-yl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40552324
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2500155
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9379466
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4815098
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 43301728
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7532777
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7633122

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (CID 8834834) is 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is CCN(C(=O)CSc1nc(C)cc(C)c1C(N)=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is YIWMCRNACOQPHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-4-19(12-5-6-25(22,23)9-12)13(20)8-24-16-14(15(17)21)10(2)7-11(3)18-16/h7,12H,4-6,8-9H2,1-3H3,(H2,17,21)/t12-/m1/s1.
What are the key properties of 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 8834834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).