1-ethylsulfonyl-2,3-dimethylbutane

C8H18O2S — CID 150789687

IUPAC1-ethylsulfonyl-2,3-dimethylbutane
SMILESCCS(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C8H18O2S/c1-5-11(9,10)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyKDPBPXJDAARFDP-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.71
Rot. Bonds4

About 1-ethylsulfonyl-2,3-dimethylbutane

1-ethylsulfonyl-2,3-dimethylbutane (PubChem CID 150789687) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-2,3-dimethylbutane.

Molecular Properties

Compound Name1-ethylsulfonyl-2,3-dimethylbutane
PubChem CID150789687
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-ethylsulfonyl-2,3-dimethylbutane
SMILESCCS(=O)(=O)CC(C)C(C)C
InChIInChI=1S/C8H18O2S/c1-5-11(9,10)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyKDPBPXJDAARFDP-UHFFFAOYSA-N
XLogP1.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-propylsulfonylbutane
CID 172857975
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
2,3-dimethylbutane-1-sulfonyl bromide
CID 87941798
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane
CID 172843003
3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
CID 174646799
3-ethylsulfonyl-2-methylpropanal
CID 20592362
1-ethylsulfonyl-3,3-dimethylbutan-2-amine
CID 64646580
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2,3-dimethylbutane?
The IUPAC name of 1-ethylsulfonyl-2,3-dimethylbutane (CID 150789687) is 1-ethylsulfonyl-2,3-dimethylbutane.
What is the SMILES notation for 1-ethylsulfonyl-2,3-dimethylbutane?
The canonical SMILES for 1-ethylsulfonyl-2,3-dimethylbutane is CCS(=O)(=O)CC(C)C(C)C.
What is the InChIKey of 1-ethylsulfonyl-2,3-dimethylbutane?
The InChIKey is KDPBPXJDAARFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-5-11(9,10)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-2,3-dimethylbutane?
1-ethylsulfonyl-2,3-dimethylbutane has a molecular weight of 178.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2,3-dimethylbutane is sourced from PubChem (CID 150789687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).