N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C9H12N2O2S — CID 129272774

IUPACN-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(CCO)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C9H12N2O2S/c1-11(5-6-12)9(13)7-3-2-4-10-8(7)14/h2-4,12H,5-6H2,1H3,(H,10,14)
InChIKeyDWEFQMOAUITSAO-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.81
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 129272774) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID129272774
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(CCO)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C9H12N2O2S/c1-11(5-6-12)9(13)7-3-2-4-10-8(7)14/h2-4,12H,5-6H2,1H3,(H,10,14)
InChIKeyDWEFQMOAUITSAO-UHFFFAOYSA-N
XLogP0.81
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 129272774) is N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CN(CCO)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is DWEFQMOAUITSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11(5-6-12)9(13)7-3-2-4-10-8(7)14/h2-4,12H,5-6H2,1H3,(H,10,14).
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).