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

C8H10N2O2S — CID 88537340

IUPACN-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCCO)c1ccc[nH]c1=S
InChIInChI=1S/C8H10N2O2S/c11-5-4-9-7(12)6-2-1-3-10-8(6)13/h1-3,11H,4-5H2,(H,9,12)(H,10,13)
InChIKeyZDRLNFMFAQIVAH-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.47
Rot. Bonds3

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

N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 88537340) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID88537340
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCCO)c1ccc[nH]c1=S
InChIInChI=1S/C8H10N2O2S/c11-5-4-9-7(12)6-2-1-3-10-8(6)13/h1-3,11H,4-5H2,(H,9,12)(H,10,13)
InChIKeyZDRLNFMFAQIVAH-UHFFFAOYSA-N
XLogP0.47
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
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)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 88537340) is N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NCCO)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ZDRLNFMFAQIVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-5-4-9-7(12)6-2-1-3-10-8(6)13/h1-3,11H,4-5H2,(H,9,12)(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 88537340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).