2-(benzenesulfinyl)-3,4-dihydropyridine

C11H11NOS — CID 57054662

IUPAC2-(benzenesulfinyl)-3,4-dihydropyridine
SMILESO=S(C1=NC=CCC1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-3,5-7,9H,4,8H2
InChIKeyQPAHLZXRBUBMMB-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.50
Rot. Bonds1

About 2-(benzenesulfinyl)-3,4-dihydropyridine

2-(benzenesulfinyl)-3,4-dihydropyridine (PubChem CID 57054662) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3,4-dihydropyridine
PubChem CID57054662
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(benzenesulfinyl)-3,4-dihydropyridine
SMILESO=S(C1=NC=CCC1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-3,5-7,9H,4,8H2
InChIKeyQPAHLZXRBUBMMB-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 3-phenylsulfanyl-2H-pyrazin-2-ide
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2-phenylsulfanyl-3H-azepine
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4-(Benzenesulfonyl)-2,3-dihydroazete
CID 155931317
phenyl N-methylethanimidothioate
CID 15707425
5-(Benzenesulfonyl)-2,3-dihydropyridine
CID 17801754
1-[2-(Benzenesulfinyl)ethyl]azepine
CID 21391070
5-(benzenesulfinylmethyl)-3H-pyrrole
CID 58034217
3-(benzenesulfonyl)-1-nitro-2H-pyrazine
CID 67712240
3-(benzenesulfonyl)-2H-pyrazin-1-amine
CID 67712287
5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole
CID 70432279
6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine
CID 151578672
phenyl N-methylpropanimidothioate
CID 156301073

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-3,4-dihydropyridine?
The IUPAC name of 2-(benzenesulfinyl)-3,4-dihydropyridine (CID 57054662) is 2-(benzenesulfinyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(benzenesulfinyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(benzenesulfinyl)-3,4-dihydropyridine is O=S(C1=NC=CCC1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-3,4-dihydropyridine?
The InChIKey is QPAHLZXRBUBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-3,5-7,9H,4,8H2.
What are the key properties of 2-(benzenesulfinyl)-3,4-dihydropyridine?
2-(benzenesulfinyl)-3,4-dihydropyridine has a molecular weight of 205.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3,4-dihydropyridine is sourced from PubChem (CID 57054662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).