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

C10H12ClFN2O2S — CID 59525716

IUPAC4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(Cl)nc2F)CC1
InChIInChI=1S/C10H12ClFN2O2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2
InChIKeyKWBUHKSUPMYWEN-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.10
Rot. Bonds2

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

4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 59525716) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID59525716
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC Name4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(Cl)nc2F)CC1
InChIInChI=1S/C10H12ClFN2O2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2
InChIKeyKWBUHKSUPMYWEN-UHFFFAOYSA-N
XLogP1.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.10
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-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 59525716) is 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(Cl)nc2F)CC1.
What is the InChIKey of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is KWBUHKSUPMYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2.
What are the key properties of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 278.74 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59525716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).