4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine

C12H16Cl2N2O3S — CID 64608987

IUPAC4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-8-6-16(7-12(2,3)19-8)20(17,18)9-4-10(13)11(14)15-5-9/h4-5,8H,6-7H2,1-3H3
InChIKeyLCDPPTLHYRETET-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.58
Rot. Bonds2

About 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine

4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine (PubChem CID 64608987) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
PubChem CID64608987
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-8-6-16(7-12(2,3)19-8)20(17,18)9-4-10(13)11(14)15-5-9/h4-5,8H,6-7H2,1-3H3
InChIKeyLCDPPTLHYRETET-UHFFFAOYSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine (CID 64608987) is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine is CC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC(C)(C)O1.
What is the InChIKey of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine?
The InChIKey is LCDPPTLHYRETET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-8-6-16(7-12(2,3)19-8)20(17,18)9-4-10(13)11(14)15-5-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine?
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine has a molecular weight of 339.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 64608987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).