2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid

C8H15NO4S — CID 130834658

IUPAC2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid
SMILESCC1CCN(S(=O)(=O)CC(=O)O)C1C
InChIInChI=1S/C8H15NO4S/c1-6-3-4-9(7(6)2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyIVOFLWRJWXORMD-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.13
Rot. Bonds3

About 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid

2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid (PubChem CID 130834658) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid
PubChem CID130834658
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid
SMILESCC1CCN(S(=O)(=O)CC(=O)O)C1C
InChIInChI=1S/C8H15NO4S/c1-6-3-4-9(7(6)2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyIVOFLWRJWXORMD-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
CID 130964385
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
CID 83085659
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
CID 43578571
3-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]propanoic acid
CID 60951160
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 82839173
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234
3-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 102776357
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 104937349
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
CID 174290633
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid (CID 130834658) is 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid is CC1CCN(S(=O)(=O)CC(=O)O)C1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid?
The InChIKey is IVOFLWRJWXORMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6-3-4-9(7(6)2)14(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid?
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid has a molecular weight of 221.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 130834658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).