2-tert-butylsulfonyl-2,3,3-trimethylbutane

C11H24O2S — CID 58548756

IUPAC2-tert-butylsulfonyl-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-9(2,3)11(7,8)14(12,13)10(4,5)6/h1-8H3
InChIKeyNGURCAXTGUKHAF-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.02
Rot. Bonds1

About 2-tert-butylsulfonyl-2,3,3-trimethylbutane

2-tert-butylsulfonyl-2,3,3-trimethylbutane (PubChem CID 58548756) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-2,3,3-trimethylbutane.

Molecular Properties

Compound Name2-tert-butylsulfonyl-2,3,3-trimethylbutane
PubChem CID58548756
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name2-tert-butylsulfonyl-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-9(2,3)11(7,8)14(12,13)10(4,5)6/h1-8H3
InChIKeyNGURCAXTGUKHAF-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
CID 161376368
2,3,3-trimethylbutane-2-sulfonyl chloride
CID 116866363
N,N'-ditert-butyl-2-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]-3-[(E)-[tert-butyl(oxido)azaniumylidene]methyl]-2,3-bis(tert-butylsulfonyl)butane-1,4-diimine oxide
CID 45045163
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
CID 165038422
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
CID 162046049
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
CID 71106121
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane;methoxymethane;methylsulfanylmethane;propane
CID 161267370
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
3-(2-tert-butylsulfonylethyl)-3-methyloxetane
CID 160692118

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-2,3,3-trimethylbutane?
The IUPAC name of 2-tert-butylsulfonyl-2,3,3-trimethylbutane (CID 58548756) is 2-tert-butylsulfonyl-2,3,3-trimethylbutane.
What is the SMILES notation for 2-tert-butylsulfonyl-2,3,3-trimethylbutane?
The canonical SMILES for 2-tert-butylsulfonyl-2,3,3-trimethylbutane is CC(C)(C)C(C)(C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonyl-2,3,3-trimethylbutane?
The InChIKey is NGURCAXTGUKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-9(2,3)11(7,8)14(12,13)10(4,5)6/h1-8H3.
What are the key properties of 2-tert-butylsulfonyl-2,3,3-trimethylbutane?
2-tert-butylsulfonyl-2,3,3-trimethylbutane has a molecular weight of 220.38 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-2,3,3-trimethylbutane is sourced from PubChem (CID 58548756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).