5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide

C11H15N3O3S — CID 43020385

IUPAC5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H15N3O3S/c1-8-5-13-9(6-12-8)10(15)14-11(2)3-4-18(16,17)7-11/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBQSMONILIDYYER-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.09
Rot. Bonds2

About 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide

5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (PubChem CID 43020385) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
PubChem CID43020385
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H15N3O3S/c1-8-5-13-9(6-12-8)10(15)14-11(2)3-4-18(16,17)7-11/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBQSMONILIDYYER-UHFFFAOYSA-N
XLogP0.09
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
5-carbamothioyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63748853
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 62240532
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 42915483
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 62174844

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (CID 43020385) is 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2(C)CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The InChIKey is BQSMONILIDYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-5-13-9(6-12-8)10(15)14-11(2)3-4-18(16,17)7-11/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 43020385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).