4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C11H14Cl2N2O2S — CID 113461629

IUPAC4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-18(16,17)5-4-15(8)6-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3
InChIKeyHGOBONYRDKVHSG-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.01
Rot. Bonds2

About 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 113461629) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID113461629
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-18(16,17)5-4-15(8)6-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3
InChIKeyHGOBONYRDKVHSG-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.01
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-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 113461629) is 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is HGOBONYRDKVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-8-7-18(16,17)5-4-15(8)6-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 309.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 113461629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).