2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane

C15H34O3S2 — CID 162046049

IUPAC2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
SMILESCC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S.C7H16OS/c1-7(2,3)11(9,10)8(4,5)6;1-6(2)9(8)7(3,4)5/h1-6H3;6H,1-5H3
InChIKeyYXXABMXPZNBEAI-UHFFFAOYSA-N
MW326.57 g/mol
LogP3.94
Rot. Bonds1

About 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane

2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane (PubChem CID 162046049) has the molecular formula C15H34O3S2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane.

Molecular Properties

Compound Name2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
PubChem CID162046049
Molecular FormulaC15H34O3S2
Molecular Weight326.57 g/mol
Exact Mass326.19
IUPAC Name2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
SMILESCC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S.C7H16OS/c1-7(2,3)11(9,10)8(4,5)6;1-6(2)9(8)7(3,4)5/h1-6H3;6H,1-5H3
InChIKeyYXXABMXPZNBEAI-UHFFFAOYSA-N
XLogP3.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
CID 161376368
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
CID 165038422
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane;methoxymethane;methylsulfanylmethane;propane
CID 161267370
(2S)-2-tert-butylsulfinylbutane
CID 89078244
2-tert-butylsulfinylpropanoic acid
CID 61301967
(S)-propane-2-sulfinamide
CID 88710185
2-tert-butylsulfonyl-2,3,3-trimethylbutane
CID 58548756
2-methyl-2-propan-2-ylsulfinylpropanoic acid
CID 81229869
tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
CID 125457263
2-propan-2-ylsulfinylpropane
CID 158857141
2-(2-tert-butylsulfonylethylsulfinyl)propanoic acid
CID 106728522
(S)-2-methylpropane-2-sulfinyl chloride
CID 98043154

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane?
The IUPAC name of 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane (CID 162046049) is 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane.
What is the SMILES notation for 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane?
The canonical SMILES for 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane is CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane?
The InChIKey is YXXABMXPZNBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S.C7H16OS/c1-7(2,3)11(9,10)8(4,5)6;1-6(2)9(8)7(3,4)5/h1-6H3;6H,1-5H3.
What are the key properties of 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane?
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane has a molecular weight of 326.57 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane is sourced from PubChem (CID 162046049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).