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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Related Compounds

5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 114230215
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 55230597
3-[6-[methyl(2-methylsulfonylethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 79846152
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
5-carbamothioyl-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 63723408
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 55231172
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
methyl 2-[(5-carbamothioylpyridine-2-carbonyl)-propylamino]acetate
CID 63749201

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).