4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine

C10H19NO3S — CID 114393223

IUPAC4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H19NO3S/c1-3-8-15(12,13)11-6-4-10(5-7-11)9-14-2/h4H,3,5-9H2,1-2H3
InChIKeyKMAWWTIPVQDERP-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.00
Rot. Bonds5

About 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 114393223) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID114393223
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H19NO3S/c1-3-8-15(12,13)11-6-4-10(5-7-11)9-14-2/h4H,3,5-9H2,1-2H3
InChIKeyKMAWWTIPVQDERP-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine (CID 114393223) is 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine is CCCS(=O)(=O)N1CC=C(COC)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is KMAWWTIPVQDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-8-15(12,13)11-6-4-10(5-7-11)9-14-2/h4H,3,5-9H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 233.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-propylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114393223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).