2-Methyl-3-propan-2-ylsulfonyloxirane

C6H12O3S — CID 162494821

IUPAC2-methyl-3-propan-2-ylsulfonyloxirane
SMILESCC1C(O1)S(=O)(=O)C(C)C
InChIInChI=1S/C6H12O3S/c1-4(2)10(7,8)6-5(3)9-6/h4-6H,1-3H3
InChIKeyBDRKSXCCEBOZIH-UHFFFAOYSA-N
MW164.22 g/mol
LogP0.60
Rot. Bonds2

About 2-Methyl-3-propan-2-ylsulfonyloxirane

2-Methyl-3-propan-2-ylsulfonyloxirane (PubChem CID 162494821) has the molecular formula C6H12O3S and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfonyloxirane.

Molecular Properties

Compound Name2-Methyl-3-propan-2-ylsulfonyloxirane
PubChem CID162494821
Molecular FormulaC6H12O3S
Molecular Weight164.22 g/mol
Exact Mass164.05
IUPAC Name2-methyl-3-propan-2-ylsulfonyloxirane
SMILESCC1C(O1)S(=O)(=O)C(C)C
InChIInChI=1S/C6H12O3S/c1-4(2)10(7,8)6-5(3)9-6/h4-6H,1-3H3
InChIKeyBDRKSXCCEBOZIH-UHFFFAOYSA-N
XLogP0.60
TPSA55.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity212

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,4-oxathiane 4,4-dioxide
CID 2806244
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
ST50179549
CID 3813693
2-[2-(2-Methylpropane-2-sulfonyl)ethyl]oxirane
CID 165756025
2,3-Epoxypropyl butyl sulfoxide
CID 12525177
2,3-Epoxypropyl ethyl sulfone
CID 12640995
2,3-Epoxypropyl butyl sulfone
CID 13284956
(R,S)-3-Methoxy-tetrahydro-thiophene 1,1-dioxide
CID 25021891
3-Isopropoxytetrahydrothiophene 1,1-dioxide
CID 261583
2-Butylsulfonyl-3-propyloxirane
CID 12950517
2,3-Epoxypropyl octyl sulfone
CID 13284957
(6S)-6-methyl-1,3-oxathiane 3,3-dioxide
CID 134895195

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-3-propan-2-ylsulfonyloxirane?
The IUPAC name of 2-Methyl-3-propan-2-ylsulfonyloxirane (CID 162494821) is 2-methyl-3-propan-2-ylsulfonyloxirane.
What is the SMILES notation for 2-Methyl-3-propan-2-ylsulfonyloxirane?
The canonical SMILES for 2-Methyl-3-propan-2-ylsulfonyloxirane is CC1C(O1)S(=O)(=O)C(C)C.
What is the InChIKey of 2-Methyl-3-propan-2-ylsulfonyloxirane?
The InChIKey is BDRKSXCCEBOZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-4(2)10(7,8)6-5(3)9-6/h4-6H,1-3H3.
What are the key properties of 2-Methyl-3-propan-2-ylsulfonyloxirane?
2-Methyl-3-propan-2-ylsulfonyloxirane has a molecular weight of 164.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-3-propan-2-ylsulfonyloxirane is sourced from PubChem (CID 162494821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).