5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine

C9H17NO2S — CID 106316956

IUPAC5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H17NO2S/c1-3-7-13(11,12)10-6-4-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3
InChIKeyNKQDULYUEMSLMW-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.38
Rot. Bonds3

About 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine

5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 106316956) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID106316956
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H17NO2S/c1-3-7-13(11,12)10-6-4-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3
InChIKeyNKQDULYUEMSLMW-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine (CID 106316956) is 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine is CCCS(=O)(=O)N1CCC=C(C)C1.
What is the InChIKey of 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is NKQDULYUEMSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-7-13(11,12)10-6-4-5-9(2)8-10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 203.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106316956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).