2-methyl-1-(2-methylbutylsulfonyl)butane

C10H22O2S — CID 57266964

IUPAC2-methyl-1-(2-methylbutylsulfonyl)butane
SMILESCCC(C)CS(=O)(=O)CC(C)CC
InChIInChI=1S/C10H22O2S/c1-5-9(3)7-13(11,12)8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyFKFDAXFMZOXLSV-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.49
Rot. Bonds6

About 2-methyl-1-(2-methylbutylsulfonyl)butane

2-methyl-1-(2-methylbutylsulfonyl)butane (PubChem CID 57266964) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutylsulfonyl)butane.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutylsulfonyl)butane
PubChem CID57266964
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-methyl-1-(2-methylbutylsulfonyl)butane
SMILESCCC(C)CS(=O)(=O)CC(C)CC
InChIInChI=1S/C10H22O2S/c1-5-9(3)7-13(11,12)8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyFKFDAXFMZOXLSV-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-methylbutane
CID 107747056
methyl 2-methyl-3-(2-methylbutylsulfonyl)propanoate
CID 66113362
N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
CID 130294591
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
1-(aminosulfonimidoyl)-2-methylbutane
CID 154660444
methyl 2-methylbutane-1-sulfonate
CID 20609497
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
CID 97095663
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutylsulfonyl)butane?
The IUPAC name of 2-methyl-1-(2-methylbutylsulfonyl)butane (CID 57266964) is 2-methyl-1-(2-methylbutylsulfonyl)butane.
What is the SMILES notation for 2-methyl-1-(2-methylbutylsulfonyl)butane?
The canonical SMILES for 2-methyl-1-(2-methylbutylsulfonyl)butane is CCC(C)CS(=O)(=O)CC(C)CC.
What is the InChIKey of 2-methyl-1-(2-methylbutylsulfonyl)butane?
The InChIKey is FKFDAXFMZOXLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-5-9(3)7-13(11,12)8-10(4)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylbutylsulfonyl)butane?
2-methyl-1-(2-methylbutylsulfonyl)butane has a molecular weight of 206.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutylsulfonyl)butane is sourced from PubChem (CID 57266964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).