[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)

C6H13NO4Rh2S — CID 134959087

IUPAC[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)
SMILESCS(=O)(=O)N1CCC[C@H]1C(O)O.[Rh].[Rh]
InChIInChI=1S/C6H13NO4S.2Rh/c1-12(10,11)7-4-2-3-5(7)6(8)9;;/h5-6,8-9H,2-4H2,1H3;;/t5-;;/m0../s1
InChIKeyAUXQAFKMIYPNTP-XRIGFGBMSA-N
MW401.05 g/mol
LogP-1.28
Rot. Bonds2

About [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)

[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) (PubChem CID 134959087) has the molecular formula C6H13NO4Rh2S and a molecular weight of 401.05 g/mol. Its IUPAC name is [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium).

Molecular Properties

Compound Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)
PubChem CID134959087
Molecular FormulaC6H13NO4Rh2S
Molecular Weight401.05 g/mol
Exact Mass400.87
IUPAC Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)
SMILESCS(=O)(=O)N1CCC[C@H]1C(O)O.[Rh].[Rh]
InChIInChI=1S/C6H13NO4S.2Rh/c1-12(10,11)7-4-2-3-5(7)6(8)9;;/h5-6,8-9H,2-4H2,1H3;;/t5-;;/m0../s1
InChIKeyAUXQAFKMIYPNTP-XRIGFGBMSA-N
XLogP-1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)?
The IUPAC name of [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) (CID 134959087) is [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium).
What is the SMILES notation for [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)?
The canonical SMILES for [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) is CS(=O)(=O)N1CCC[C@H]1C(O)O.[Rh].[Rh].
What is the InChIKey of [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)?
The InChIKey is AUXQAFKMIYPNTP-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H13NO4S.2Rh/c1-12(10,11)7-4-2-3-5(7)6(8)9;;/h5-6,8-9H,2-4H2,1H3;;/t5-;;/m0../s1.
What are the key properties of [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium)?
[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) has a molecular weight of 401.05 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylsulfonylpyrrolidin-2-yl]methanediol;bis(rhodium) is sourced from PubChem (CID 134959087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).