2-methyl-2-[(R)-methylsulfinyl]propane

C5H12OS — CID 11094592

IUPAC2-methyl-2-[(R)-methylsulfinyl]propane
SMILESC[S@@](=O)C(C)(C)C
InChIInChI=1S/C5H12OS/c1-5(2,3)7(4)6/h1-4H3/t7-/m1/s1
InChIKeyYPRPSRLQZMDWFO-SSDOTTSWSA-N
MW120.22 g/mol
LogP1.16
Rot. Bonds

About 2-methyl-2-[(R)-methylsulfinyl]propane

2-methyl-2-[(R)-methylsulfinyl]propane (PubChem CID 11094592) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methyl-2-[(R)-methylsulfinyl]propane.

Molecular Properties

Compound Name2-methyl-2-[(R)-methylsulfinyl]propane
PubChem CID11094592
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methyl-2-[(R)-methylsulfinyl]propane
SMILESC[S@@](=O)C(C)(C)C
InChIInChI=1S/C5H12OS/c1-5(2,3)7(4)6/h1-4H3/t7-/m1/s1
InChIKeyYPRPSRLQZMDWFO-SSDOTTSWSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isopropyl sulfoxide
CID 16645
tert-Butyl ethyl sulfoxide
CID 141207
i-Butylmethylsulfoxide
CID 12176490
Methyl propyl sulfoxide
CID 123336
tert-Butyl methyl sulfoxide
CID 139684
Tert-butyl(imino)methyl-lambda6-sulfanone
CID 21045363
2-(Methylsulphonyl)-2-methylpropane
CID 139685
Butane, 1-(methylsulfinyl)-
CID 533669
Sulfoxide, isopropyl methyl
CID 139683
tert-Butyl methyl sulfoxide, (+)-
CID 10964477
Ethynyl t-butyl sulfoxide
CID 545180
2-Methyl-2-propan-2-ylsulfinylpropane
CID 14176049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(R)-methylsulfinyl]propane?
The IUPAC name of 2-methyl-2-[(R)-methylsulfinyl]propane (CID 11094592) is 2-methyl-2-[(R)-methylsulfinyl]propane.
What is the SMILES notation for 2-methyl-2-[(R)-methylsulfinyl]propane?
The canonical SMILES for 2-methyl-2-[(R)-methylsulfinyl]propane is C[S@@](=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-[(R)-methylsulfinyl]propane?
The InChIKey is YPRPSRLQZMDWFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C5H12OS/c1-5(2,3)7(4)6/h1-4H3/t7-/m1/s1.
What are the key properties of 2-methyl-2-[(R)-methylsulfinyl]propane?
2-methyl-2-[(R)-methylsulfinyl]propane has a molecular weight of 120.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(R)-methylsulfinyl]propane is sourced from PubChem (CID 11094592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).