1-pentylsulfinyl-2H-pyridine

C10H17NOS — CID 70085570

IUPAC1-pentylsulfinyl-2H-pyridine
SMILESCCCCCS(=O)N1C=CC=CC1
InChIInChI=1S/C10H17NOS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h4-6,8H,2-3,7,9-10H2,1H3
InChIKeyQWTFVUFGYWSKFM-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.23
Rot. Bonds5

About 1-pentylsulfinyl-2H-pyridine

1-pentylsulfinyl-2H-pyridine (PubChem CID 70085570) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-pentylsulfinyl-2H-pyridine.

Molecular Properties

Compound Name1-pentylsulfinyl-2H-pyridine
PubChem CID70085570
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-pentylsulfinyl-2H-pyridine
SMILESCCCCCS(=O)N1C=CC=CC1
InChIInChI=1S/C10H17NOS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h4-6,8H,2-3,7,9-10H2,1H3
InChIKeyQWTFVUFGYWSKFM-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentylsulfinyl-2H-pyridine?
The IUPAC name of 1-pentylsulfinyl-2H-pyridine (CID 70085570) is 1-pentylsulfinyl-2H-pyridine.
What is the SMILES notation for 1-pentylsulfinyl-2H-pyridine?
The canonical SMILES for 1-pentylsulfinyl-2H-pyridine is CCCCCS(=O)N1C=CC=CC1.
What is the InChIKey of 1-pentylsulfinyl-2H-pyridine?
The InChIKey is QWTFVUFGYWSKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h4-6,8H,2-3,7,9-10H2,1H3.
What are the key properties of 1-pentylsulfinyl-2H-pyridine?
1-pentylsulfinyl-2H-pyridine has a molecular weight of 199.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfinyl-2H-pyridine is sourced from PubChem (CID 70085570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).