2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane

C14H30O2S2 — CID 90754413

IUPAC2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
SMILESC=C(C)SCCS(=O)(=O)C(C)(C)C.CC(C)(C)C
InChIInChI=1S/C9H18O2S2.C5H12/c1-8(2)12-6-7-13(10,11)9(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;1-4H3
InChIKeyAAYUUGSQZQQING-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.52
Rot. Bonds4

About 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane

2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane (PubChem CID 90754413) has the molecular formula C14H30O2S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
PubChem CID90754413
Molecular FormulaC14H30O2S2
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Name2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
SMILESC=C(C)SCCS(=O)(=O)C(C)(C)C.CC(C)(C)C
InChIInChI=1S/C9H18O2S2.C5H12/c1-8(2)12-6-7-13(10,11)9(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;1-4H3
InChIKeyAAYUUGSQZQQING-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721890
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
CID 106736034
3-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721869
1-prop-1-en-2-ylsulfanylpropane
CID 118361917
ethane;1-prop-1-en-2-ylsulfanylpropane
CID 171074458
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671
4-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 106721836
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
5-tert-butylsulfonylpentan-1-ol
CID 14965524
sodium 2-(2-methylprop-2-enoylsulfanyl)ethanesulfonate
CID 118002499
2-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 113242482
2-tert-butylsulfonylethylcarbamic acid
CID 87536259

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane?
The IUPAC name of 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane (CID 90754413) is 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane.
What is the SMILES notation for 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane?
The canonical SMILES for 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane is C=C(C)SCCS(=O)(=O)C(C)(C)C.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane?
The InChIKey is AAYUUGSQZQQING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S2.C5H12/c1-8(2)12-6-7-13(10,11)9(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane?
2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane has a molecular weight of 294.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane is sourced from PubChem (CID 90754413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).