(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane

C10H19IO3S — CID 89078359

IUPAC(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane
SMILESCC(C)(CI)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C10H19IO3S/c1-10(2,8-11)15(12,13)7-9-5-3-4-6-14-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUKNDFEUXNQUTEU-SECBINFHSA-N
MW346.23 g/mol
LogP2.18
Rot. Bonds4

About (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane

(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane (PubChem CID 89078359) has the molecular formula C10H19IO3S and a molecular weight of 346.23 g/mol. Its IUPAC name is (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane.

Molecular Properties

Compound Name(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane
PubChem CID89078359
Molecular FormulaC10H19IO3S
Molecular Weight346.23 g/mol
Exact Mass346.01
IUPAC Name(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane
SMILESCC(C)(CI)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C10H19IO3S/c1-10(2,8-11)15(12,13)7-9-5-3-4-6-14-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUKNDFEUXNQUTEU-SECBINFHSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane?
The IUPAC name of (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane (CID 89078359) is (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane.
What is the SMILES notation for (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane?
The canonical SMILES for (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane is CC(C)(CI)S(=O)(=O)C[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane?
The InChIKey is UKNDFEUXNQUTEU-SECBINFHSA-N. The full InChI is InChI=1S/C10H19IO3S/c1-10(2,8-11)15(12,13)7-9-5-3-4-6-14-9/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane?
(2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane has a molecular weight of 346.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-iodo-2-methylpropan-2-yl)sulfonylmethyl]oxane is sourced from PubChem (CID 89078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).