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

C10H13IN2O2S — CID 134406111

IUPAC4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(I)nc2)CC1
InChIInChI=1S/C10H13IN2O2S/c11-10-2-1-9(7-12-10)8-13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,8H2
InChIKeyHEIOAZASTUPVMT-UHFFFAOYSA-N
MW352.20 g/mol
LogP0.92
Rot. Bonds2

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

4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 134406111) has the molecular formula C10H13IN2O2S and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID134406111
Molecular FormulaC10H13IN2O2S
Molecular Weight352.20 g/mol
Exact Mass351.97
IUPAC Name4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(I)nc2)CC1
InChIInChI=1S/C10H13IN2O2S/c11-10-2-1-9(7-12-10)8-13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,8H2
InChIKeyHEIOAZASTUPVMT-UHFFFAOYSA-N
XLogP0.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62246996
4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77080425
1-[(6-iodo-3-pyridinyl)methyl]-4-(oxetan-3-yl)piperazine
CID 134601362
1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
CID 134601119
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetic acid
CID 105345699
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 172880678
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105347084

Frequently Asked Questions

What is the IUPAC name of 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 134406111) is 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(I)nc2)CC1.
What is the InChIKey of 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HEIOAZASTUPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2S/c11-10-2-1-9(7-12-10)8-13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 352.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 134406111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).