2-iodothiazinane 1,1-dioxide

C4H8INO2S — CID 118912719

IUPAC2-iodothiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1I
InChIInChI=1S/C4H8INO2S/c5-6-3-1-2-4-9(6,7)8/h1-4H2
InChIKeyGMXPGWLQFYCRTB-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.76
Rot. Bonds

About 2-iodothiazinane 1,1-dioxide

2-iodothiazinane 1,1-dioxide (PubChem CID 118912719) has the molecular formula C4H8INO2S and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-iodothiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-iodothiazinane 1,1-dioxide
PubChem CID118912719
Molecular FormulaC4H8INO2S
Molecular Weight261.08 g/mol
Exact Mass260.93
IUPAC Name2-iodothiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1I
InChIInChI=1S/C4H8INO2S/c5-6-3-1-2-4-9(6,7)8/h1-4H2
InChIKeyGMXPGWLQFYCRTB-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodothiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Butanesultam
CID 303508
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
2-Fluorothiazinane 1,1-dioxide
CID 45090552
1,1-Dioxothiazinane-2-sulfonamide
CID 12012893
1lambda6-Thia-2-azanidacyclohexane 1,1-dioxide
CID 59037492
2-Hydroxythiazinane 1,1-dioxide
CID 89808940
(4R)-2-iodo-4-methylthiazinane 1,1-dioxide
CID 138703364
2-Sulfanylthiazinane 1,1-dioxide
CID 164042907
6-Methyl-2-methylsulfanylthiazinane 1,1-dioxide
CID 167135270
2-Chlorothiazinane 1,1-dioxide
CID 11412616
2-Methanidylthiazinane 1,1-dioxide
CID 57868039
2-(Methanesulfonyl)-1lambda~6~,2-thiazinane-1,1-dione
CID 165353018

Frequently Asked Questions

What is the IUPAC name of 2-iodothiazinane 1,1-dioxide?
The IUPAC name of 2-iodothiazinane 1,1-dioxide (CID 118912719) is 2-iodothiazinane 1,1-dioxide.
What is the SMILES notation for 2-iodothiazinane 1,1-dioxide?
The canonical SMILES for 2-iodothiazinane 1,1-dioxide is O=S1(=O)CCCCN1I.
What is the InChIKey of 2-iodothiazinane 1,1-dioxide?
The InChIKey is GMXPGWLQFYCRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2S/c5-6-3-1-2-4-9(6,7)8/h1-4H2.
What are the key properties of 2-iodothiazinane 1,1-dioxide?
2-iodothiazinane 1,1-dioxide has a molecular weight of 261.08 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodothiazinane 1,1-dioxide is sourced from PubChem (CID 118912719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).