1-propylsulfonyl-2H-pyridine

C8H13NO2S — CID 175603720

IUPAC1-propylsulfonyl-2H-pyridine
SMILESCCCS(=O)(=O)N1C=CC=CC1
InChIInChI=1S/C8H13NO2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3
InChIKeyLLHAOOSCKKARJX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.11
Rot. Bonds3

About 1-propylsulfonyl-2H-pyridine

1-propylsulfonyl-2H-pyridine (PubChem CID 175603720) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-propylsulfonyl-2H-pyridine.

Molecular Properties

Compound Name1-propylsulfonyl-2H-pyridine
PubChem CID175603720
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-propylsulfonyl-2H-pyridine
SMILESCCCS(=O)(=O)N1C=CC=CC1
InChIInChI=1S/C8H13NO2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3
InChIKeyLLHAOOSCKKARJX-UHFFFAOYSA-N
XLogP1.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-2H-pyridine?
The IUPAC name of 1-propylsulfonyl-2H-pyridine (CID 175603720) is 1-propylsulfonyl-2H-pyridine.
What is the SMILES notation for 1-propylsulfonyl-2H-pyridine?
The canonical SMILES for 1-propylsulfonyl-2H-pyridine is CCCS(=O)(=O)N1C=CC=CC1.
What is the InChIKey of 1-propylsulfonyl-2H-pyridine?
The InChIKey is LLHAOOSCKKARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-propylsulfonyl-2H-pyridine?
1-propylsulfonyl-2H-pyridine has a molecular weight of 187.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-2H-pyridine is sourced from PubChem (CID 175603720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).