N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C11H14N2OS — CID 43046540

IUPACN-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc[nH]c1=S
InChIInChI=1S/C11H14N2OS/c14-10(13-8-4-1-2-5-8)9-6-3-7-12-11(9)15/h3,6-8H,1-2,4-5H2,(H,12,15)(H,13,14)
InChIKeyZBWFQTGTSUFFTD-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.42
Rot. Bonds2

About N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 43046540) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID43046540
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc[nH]c1=S
InChIInChI=1S/C11H14N2OS/c14-10(13-8-4-1-2-5-8)9-6-3-7-12-11(9)15/h3,6-8H,1-2,4-5H2,(H,12,15)(H,13,14)
InChIKeyZBWFQTGTSUFFTD-UHFFFAOYSA-N
XLogP2.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 43046540) is N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NC1CCCC1)c1ccc[nH]c1=S.
What is the InChIKey of N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ZBWFQTGTSUFFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10(13-8-4-1-2-5-8)9-6-3-7-12-11(9)15/h3,6-8H,1-2,4-5H2,(H,12,15)(H,13,14).
What are the key properties of N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43046540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).