1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol

C6H13NO5S2 — CID 82843149

IUPAC1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H13NO5S2/c1-13(9,10)5-14(11,12)7-3-2-6(8)4-7/h6,8H,2-5H2,1H3
InChIKeySFXQAQNCFDKADJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.62
Rot. Bonds3

About 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol

1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol (PubChem CID 82843149) has the molecular formula C6H13NO5S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
PubChem CID82843149
Molecular FormulaC6H13NO5S2
Molecular Weight243.31 g/mol
Exact Mass243.02
IUPAC Name1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H13NO5S2/c1-13(9,10)5-14(11,12)7-3-2-6(8)4-7/h6,8H,2-5H2,1H3
InChIKeySFXQAQNCFDKADJ-UHFFFAOYSA-N
XLogP-1.62
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
3-bromo-4-methyl-1-(methylsulfonylmethylsulfonyl)piperidine
CID 102962709
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
4-bromo-3-methyl-1-(methylsulfonylmethylsulfonyl)piperidine
CID 114683761
1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
CID 82842240
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
3-bromo-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82842490
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
1-(methylsulfonylmethylsulfonyl)piperidine-4-carbaldehyde
CID 82842599

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol (CID 82843149) is 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol is CS(=O)(=O)CS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is SFXQAQNCFDKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S2/c1-13(9,10)5-14(11,12)7-3-2-6(8)4-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol?
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 82843149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).