4-(benzenesulfinyl)-3-propylpyridine

C14H15NOS — CID 123859649

IUPAC4-(benzenesulfinyl)-3-propylpyridine
SMILESCCCc1cnccc1S(=O)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-2-6-12-11-15-10-9-14(12)17(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3
InChIKeyMQCFMNAYODHLPW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.20
Rot. Bonds4

About 4-(benzenesulfinyl)-3-propylpyridine

4-(benzenesulfinyl)-3-propylpyridine (PubChem CID 123859649) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-3-propylpyridine.

Molecular Properties

Compound Name4-(benzenesulfinyl)-3-propylpyridine
PubChem CID123859649
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(benzenesulfinyl)-3-propylpyridine
SMILESCCCc1cnccc1S(=O)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-2-6-12-11-15-10-9-14(12)17(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3
InChIKeyMQCFMNAYODHLPW-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)-3-propylpyridine?
The IUPAC name of 4-(benzenesulfinyl)-3-propylpyridine (CID 123859649) is 4-(benzenesulfinyl)-3-propylpyridine.
What is the SMILES notation for 4-(benzenesulfinyl)-3-propylpyridine?
The canonical SMILES for 4-(benzenesulfinyl)-3-propylpyridine is CCCc1cnccc1S(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfinyl)-3-propylpyridine?
The InChIKey is MQCFMNAYODHLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-6-12-11-15-10-9-14(12)17(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 4-(benzenesulfinyl)-3-propylpyridine?
4-(benzenesulfinyl)-3-propylpyridine has a molecular weight of 245.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)-3-propylpyridine is sourced from PubChem (CID 123859649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).