2-dimethylsulfinamoyl-2-methylpropanoic acid

C6H13NO3S — CID 18723061

IUPAC2-dimethylsulfinamoyl-2-methylpropanoic acid
SMILESCN(C)S(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO3S/c1-6(2,5(8)9)11(10)7(3)4/h1-4H3,(H,8,9)
InChIKeySHRHNVLUYMNGIE-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.07
Rot. Bonds3

About 2-dimethylsulfinamoyl-2-methylpropanoic acid

2-dimethylsulfinamoyl-2-methylpropanoic acid (PubChem CID 18723061) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-dimethylsulfinamoyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-dimethylsulfinamoyl-2-methylpropanoic acid
PubChem CID18723061
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-dimethylsulfinamoyl-2-methylpropanoic acid
SMILESCN(C)S(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO3S/c1-6(2,5(8)9)11(10)7(3)4/h1-4H3,(H,8,9)
InChIKeySHRHNVLUYMNGIE-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
3-((dimethylamino)sulfonyl]-2(R)-methylpropionic acid
CID 18738436
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269
2-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 23089081
(S)-3-(N,N-Dimethylsulfamoyl)-2-methylpropanoic acid
CID 53940028
2-(Dimethylsulfamoyl)propanoic acid
CID 61454534
3-Dimethylsulfinamoylpropanoic acid
CID 169895549
3-(Dimethylsulfamoyl)-2,2-dimethylpropanoic acid
CID 82279978

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsulfinamoyl-2-methylpropanoic acid?
The IUPAC name of 2-dimethylsulfinamoyl-2-methylpropanoic acid (CID 18723061) is 2-dimethylsulfinamoyl-2-methylpropanoic acid.
What is the SMILES notation for 2-dimethylsulfinamoyl-2-methylpropanoic acid?
The canonical SMILES for 2-dimethylsulfinamoyl-2-methylpropanoic acid is CN(C)S(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-dimethylsulfinamoyl-2-methylpropanoic acid?
The InChIKey is SHRHNVLUYMNGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(2,5(8)9)11(10)7(3)4/h1-4H3,(H,8,9).
What are the key properties of 2-dimethylsulfinamoyl-2-methylpropanoic acid?
2-dimethylsulfinamoyl-2-methylpropanoic acid has a molecular weight of 179.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsulfinamoyl-2-methylpropanoic acid is sourced from PubChem (CID 18723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).