2,2-bis(ethylsulfonyl)-3-methylbutane

C9H20O4S2 — CID 87259989

IUPAC2,2-bis(ethylsulfonyl)-3-methylbutane
SMILESCCS(=O)(=O)C(C)(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C9H20O4S2/c1-6-14(10,11)9(5,8(3)4)15(12,13)7-2/h8H,6-7H2,1-5H3
InChIKeySGJKXBNYFMHIFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.23
Rot. Bonds5

About 2,2-bis(ethylsulfonyl)-3-methylbutane

2,2-bis(ethylsulfonyl)-3-methylbutane (PubChem CID 87259989) has the molecular formula C9H20O4S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)-3-methylbutane.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)-3-methylbutane
PubChem CID87259989
Molecular FormulaC9H20O4S2
Molecular Weight256.39 g/mol
Exact Mass256.08
IUPAC Name2,2-bis(ethylsulfonyl)-3-methylbutane
SMILESCCS(=O)(=O)C(C)(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C9H20O4S2/c1-6-14(10,11)9(5,8(3)4)15(12,13)7-2/h8H,6-7H2,1-5H3
InChIKeySGJKXBNYFMHIFE-UHFFFAOYSA-N
XLogP1.23
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;2,2-bis(ethylsulfonyl)butane;hydrochloride
CID 173418492
2-fluoro-2-propan-2-ylsulfonylpentane
CID 161159167
(1R)-1-chloro-1-ethylsulfonylethane
CID 94036814
3-methyl-3-(3-methylpentan-3-ylsulfonylmethyl)pentane
CID 126735687
3-ethyl-3-(2-methylpropylsulfonyl)pentane
CID 58814812
butan-2-yl tert-butyl sulfate
CID 88545574
N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
CID 106730348
2,3-dimethyl-2-methylsulfonylbutanenitrile
CID 89095113
2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane
CID 88521041
1-ethoxy-1-ethylsulfonyl-1-methoxyethane
CID 87183016
1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
CID 58814916
2,2-dichloro-1-cyclopropyl-2-ethylsulfonylethanol
CID 102550216

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfonyl)-3-methylbutane?
The IUPAC name of 2,2-bis(ethylsulfonyl)-3-methylbutane (CID 87259989) is 2,2-bis(ethylsulfonyl)-3-methylbutane.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)-3-methylbutane?
The canonical SMILES for 2,2-bis(ethylsulfonyl)-3-methylbutane is CCS(=O)(=O)C(C)(C(C)C)S(=O)(=O)CC.
What is the InChIKey of 2,2-bis(ethylsulfonyl)-3-methylbutane?
The InChIKey is SGJKXBNYFMHIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4S2/c1-6-14(10,11)9(5,8(3)4)15(12,13)7-2/h8H,6-7H2,1-5H3.
What are the key properties of 2,2-bis(ethylsulfonyl)-3-methylbutane?
2,2-bis(ethylsulfonyl)-3-methylbutane has a molecular weight of 256.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)-3-methylbutane is sourced from PubChem (CID 87259989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).