[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide

C14H11N3OS — CID 175983328

IUPAC[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide
SMILESN#CN=S(=O)(C=Cc1ccccn1)c1ccccc1
InChIInChI=1S/C14H11N3OS/c15-12-17-19(18,14-7-2-1-3-8-14)11-9-13-6-4-5-10-16-13/h1-11H
InChIKeyXOVRGLDXUNYWAG-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.06
Rot. Bonds3

About [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide

[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide (PubChem CID 175983328) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide.

Molecular Properties

Compound Name[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide
PubChem CID175983328
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide
SMILESN#CN=S(=O)(C=Cc1ccccn1)c1ccccc1
InChIInChI=1S/C14H11N3OS/c15-12-17-19(18,14-7-2-1-3-8-14)11-9-13-6-4-5-10-16-13/h1-11H
InChIKeyXOVRGLDXUNYWAG-UHFFFAOYSA-N
XLogP3.06
TPSA66.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

Sulfoxaflor
CID 16723172
4-(Phenylthio)pyridine
CID 99184
2-Phenylthiopyridine
CID 817760
2-(Benzenesulfonyl)pyridine
CID 289829
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
3-(Phenylsulfanyl)pyridine
CID 3813610
Phenyl 2-pyridylmethyl sulfone
CID 3321062
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 5703330
2-[2-(4-Methylsulfonylphenyl)ethynyl]pyridine
CID 44452400
3-chloro-2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 146380783

Frequently Asked Questions

What is the IUPAC name of [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide?
The IUPAC name of [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide (CID 175983328) is [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide.
What is the SMILES notation for [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide?
The canonical SMILES for [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide is N#CN=S(=O)(C=Cc1ccccn1)c1ccccc1.
What is the InChIKey of [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide?
The InChIKey is XOVRGLDXUNYWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-12-17-19(18,14-7-2-1-3-8-14)11-9-13-6-4-5-10-16-13/h1-11H.
What are the key properties of [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide?
[oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide has a molecular weight of 269.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [oxo-phenyl-(2-pyridin-2-ylethenyl)-λ6-sulfanylidene]cyanamide is sourced from PubChem (CID 175983328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).