1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine

C11H18N2O2S — CID 66899353

IUPAC1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CC=CCC1C1=CCNCC1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)13-9-3-2-4-11(13)10-5-7-12-8-6-10/h2-3,5,11-12H,4,6-9H2,1H3
InChIKeyQVXVSPKOMTYCDD-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.50
Rot. Bonds2

About 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine

1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 66899353) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID66899353
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CC=CCC1C1=CCNCC1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)13-9-3-2-4-11(13)10-5-7-12-8-6-10/h2-3,5,11-12H,4,6-9H2,1H3
InChIKeyQVXVSPKOMTYCDD-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
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 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine (CID 66899353) is 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine is CS(=O)(=O)N1CC=CCC1C1=CCNCC1.
What is the InChIKey of 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is QVXVSPKOMTYCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-16(14,15)13-9-3-2-4-11(13)10-5-7-12-8-6-10/h2-3,5,11-12H,4,6-9H2,1H3.
What are the key properties of 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine?
1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 242.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 66899353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).