5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

C11H15N3O3S2 — CID 79859087

IUPAC5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O3S2/c1-14(5-6-19(2,16)17)11(15)9-4-3-8(7-13-9)10(12)18/h3-4,7H,5-6H2,1-2H3,(H2,12,18)
InChIKeyGQZJRIUXBLAGDM-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.17
Rot. Bonds5

About 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (PubChem CID 79859087) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
PubChem CID79859087
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O3S2/c1-14(5-6-19(2,16)17)11(15)9-4-3-8(7-13-9)10(12)18/h3-4,7H,5-6H2,1-2H3,(H2,12,18)
InChIKeyGQZJRIUXBLAGDM-UHFFFAOYSA-N
XLogP-0.17
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (CID 79859087) is 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is CN(CCS(C)(=O)=O)C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The InChIKey is GQZJRIUXBLAGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-14(5-6-19(2,16)17)11(15)9-4-3-8(7-13-9)10(12)18/h3-4,7H,5-6H2,1-2H3,(H2,12,18).
What are the key properties of 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 79859087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).