4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine

C13H19ClN2O3S — CID 175051525

IUPAC4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
SMILESCC(C)(c1cc(Cl)nc(N2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,20(3,17)18)10-8-11(14)15-12(9-10)16-4-6-19-7-5-16/h8-9H,4-7H2,1-3H3
InChIKeyPICZIJADJVWMCF-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.85
Rot. Bonds3

About 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine

4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine (PubChem CID 175051525) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
PubChem CID175051525
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
SMILESCC(C)(c1cc(Cl)nc(N2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,20(3,17)18)10-8-11(14)15-12(9-10)16-4-6-19-7-5-16/h8-9H,4-7H2,1-3H3
InChIKeyPICZIJADJVWMCF-UHFFFAOYSA-N
XLogP1.85
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine (CID 175051525) is 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine is CC(C)(c1cc(Cl)nc(N2CCOCC2)c1)S(C)(=O)=O.
What is the InChIKey of 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine?
The InChIKey is PICZIJADJVWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-13(2,20(3,17)18)10-8-11(14)15-12(9-10)16-4-6-19-7-5-16/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine?
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine has a molecular weight of 318.83 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 175051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).