2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid

C10H20O4S2 — CID 106721890

IUPAC2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
SMILESCC(C)(SCCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20O4S2/c1-9(2,3)16(13,14)7-6-15-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyJFEAYSRTVBMTJD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid

2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid (PubChem CID 106721890) has the molecular formula C10H20O4S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
PubChem CID106721890
Molecular FormulaC10H20O4S2
Molecular Weight268.40 g/mol
Exact Mass268.08
IUPAC Name2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
SMILESCC(C)(SCCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20O4S2/c1-9(2,3)16(13,14)7-6-15-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyJFEAYSRTVBMTJD-UHFFFAOYSA-N
XLogP1.80
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721869
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
CID 106736034
2-but-3-ynylsulfanyl-2-methylpropanoic acid
CID 81222985
4-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 106721836
2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
CID 90754413
2-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropanoic acid
CID 81229569
2-methyl-2-(2-phenylethylsulfanyl)propanoic acid
CID 81228478
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
2-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 113242482
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
2-(3,3-diethoxypropylsulfanyl)-2-methylpropanoic acid
CID 81223425
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid (CID 106721890) is 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid is CC(C)(SCCS(=O)(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid?
The InChIKey is JFEAYSRTVBMTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S2/c1-9(2,3)16(13,14)7-6-15-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12).
What are the key properties of 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid?
2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid is sourced from PubChem (CID 106721890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).