(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide

C7H14INO2S — CID 146588168

IUPAC(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide
SMILESCC(C)[C@H]1CCS(=O)(=O)N(I)C1
InChIInChI=1S/C7H14INO2S/c1-6(2)7-3-4-12(10,11)9(8)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyUMZXQKSDHXIWFD-ZETCQYMHSA-N
MW303.17 g/mol
LogP1.64
Rot. Bonds1

About (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide

(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide (PubChem CID 146588168) has the molecular formula C7H14INO2S and a molecular weight of 303.17 g/mol. Its IUPAC name is (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide
PubChem CID146588168
Molecular FormulaC7H14INO2S
Molecular Weight303.17 g/mol
Exact Mass302.98
IUPAC Name(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide
SMILESCC(C)[C@H]1CCS(=O)(=O)N(I)C1
InChIInChI=1S/C7H14INO2S/c1-6(2)7-3-4-12(10,11)9(8)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyUMZXQKSDHXIWFD-ZETCQYMHSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 51.64
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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Related Compounds

1-methylimino-4-propan-2-ylthiane 1-oxide
CID 164831352
1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
CID 138494031
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
CID 67806027
propan-2-ylcyclopropane;hydroiodide
CID 162314014
methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
CID 146940638
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
2-methyl-3-propan-2-ylthiazinane 1,1-dioxide
CID 90444187
1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
CID 115688453
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013

Frequently Asked Questions

What is the IUPAC name of (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide?
The IUPAC name of (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide (CID 146588168) is (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide.
What is the SMILES notation for (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide?
The canonical SMILES for (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide is CC(C)[C@H]1CCS(=O)(=O)N(I)C1.
What is the InChIKey of (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide?
The InChIKey is UMZXQKSDHXIWFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14INO2S/c1-6(2)7-3-4-12(10,11)9(8)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide?
(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide has a molecular weight of 303.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide is sourced from PubChem (CID 146588168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).