(4R)-2-iodo-4-methylthiazinane 1,1-dioxide

C5H10INO2S — CID 138703364

IUPAC(4R)-2-iodo-4-methylthiazinane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)N(I)C1
InChIInChI=1S/C5H10INO2S/c1-5-2-3-10(8,9)7(6)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBYDZITDVEYFCNR-RXMQYKEDSA-N
MW275.11 g/mol
LogP1.01
Rot. Bonds

About (4R)-2-iodo-4-methylthiazinane 1,1-dioxide

(4R)-2-iodo-4-methylthiazinane 1,1-dioxide (PubChem CID 138703364) has the molecular formula C5H10INO2S and a molecular weight of 275.11 g/mol. Its IUPAC name is (4R)-2-iodo-4-methylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(4R)-2-iodo-4-methylthiazinane 1,1-dioxide
PubChem CID138703364
Molecular FormulaC5H10INO2S
Molecular Weight275.11 g/mol
Exact Mass274.95
IUPAC Name(4R)-2-iodo-4-methylthiazinane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)N(I)C1
InChIInChI=1S/C5H10INO2S/c1-5-2-3-10(8,9)7(6)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBYDZITDVEYFCNR-RXMQYKEDSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 51.01
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'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-iodo-4-methylthiazinane 1,1-dioxide?
The IUPAC name of (4R)-2-iodo-4-methylthiazinane 1,1-dioxide (CID 138703364) is (4R)-2-iodo-4-methylthiazinane 1,1-dioxide.
What is the SMILES notation for (4R)-2-iodo-4-methylthiazinane 1,1-dioxide?
The canonical SMILES for (4R)-2-iodo-4-methylthiazinane 1,1-dioxide is C[C@@H]1CCS(=O)(=O)N(I)C1.
What is the InChIKey of (4R)-2-iodo-4-methylthiazinane 1,1-dioxide?
The InChIKey is BYDZITDVEYFCNR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10INO2S/c1-5-2-3-10(8,9)7(6)4-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (4R)-2-iodo-4-methylthiazinane 1,1-dioxide?
(4R)-2-iodo-4-methylthiazinane 1,1-dioxide has a molecular weight of 275.11 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-iodo-4-methylthiazinane 1,1-dioxide is sourced from PubChem (CID 138703364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).