2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine

C13H24N2O2S — CID 134473681

IUPAC2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)C2CCCN(C)C2)C(C)C1
InChIInChI=1S/C13H24N2O2S/c1-11-6-8-15(12(2)9-11)18(16,17)13-5-4-7-14(3)10-13/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyKCTHKRIWRNBCIA-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.45
Rot. Bonds2

About 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine

2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 134473681) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID134473681
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)C2CCCN(C)C2)C(C)C1
InChIInChI=1S/C13H24N2O2S/c1-11-6-8-15(12(2)9-11)18(16,17)13-5-4-7-14(3)10-13/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyKCTHKRIWRNBCIA-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.45
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 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine (CID 134473681) is 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine is CC1=CCN(S(=O)(=O)C2CCCN(C)C2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is KCTHKRIWRNBCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-11-6-8-15(12(2)9-11)18(16,17)13-5-4-7-14(3)10-13/h6,12-13H,4-5,7-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine?
2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 272.41 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1-methylpiperidin-3-yl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 134473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).