2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid

C8H15NO6S2 — CID 82838547

IUPAC2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H15NO6S2/c1-8(7(10)11)4-3-5-9(8)17(14,15)6-16(2,12)13/h3-6H2,1-2H3,(H,10,11)
InChIKeyRWLIDXKKNZFFES-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.74
Rot. Bonds4

About 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 82838547) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID82838547
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H15NO6S2/c1-8(7(10)11)4-3-5-9(8)17(14,15)6-16(2,12)13/h3-6H2,1-2H3,(H,10,11)
InChIKeyRWLIDXKKNZFFES-UHFFFAOYSA-N
XLogP-0.74
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-methanesulfonylpyrrolidine-2-carboxylic acid
CID 2088710
1-Methanesulfonylpyrrolidine-2-carboxylic acid
CID 3851268
methyl 1-(methanesulfonyl)-2-methyl-D-prolinate
CID 166607358
2-Methyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64370063
1-(Difluoromethylsulfonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 64371479
2-Ethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075818
1-(Difluoromethylsulfonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075901
1-(Difluoromethylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977471
1-Methylsulfonyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 115266953
(2S)-1-(3-fluoropropylsulfonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 167861942
1-(methylsulfonyl)-D-proline
CID 2088712
2-Methyl-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 64371905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid (CID 82838547) is 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RWLIDXKKNZFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-8(7(10)11)4-3-5-9(8)17(14,15)6-16(2,12)13/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82838547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).