4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

C10H13ClN2O2S — CID 62255196

IUPAC4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cccc(CCl)n2)CC1
InChIInChI=1S/C10H13ClN2O2S/c11-8-9-2-1-3-10(12-9)13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeySXQBLWMEUFBKRL-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.06
Rot. Bonds2

About 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 62255196) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID62255196
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cccc(CCl)n2)CC1
InChIInChI=1S/C10H13ClN2O2S/c11-8-9-2-1-3-10(12-9)13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeySXQBLWMEUFBKRL-UHFFFAOYSA-N
XLogP1.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 62255196) is 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2cccc(CCl)n2)CC1.
What is the InChIKey of 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SXQBLWMEUFBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-8-9-2-1-3-10(12-9)13-4-6-16(14,15)7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 260.75 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 62255196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).