hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten

C6H13NO4SW — CID 59075961

IUPAChydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
SMILESCN1CCC[C@H]1C(O)S(=O)(=O)O.[W]
InChIInChI=1S/C6H13NO4S.W/c1-7-4-2-3-5(7)6(8)12(9,10)11;/h5-6,8H,2-4H2,1H3,(H,9,10,11);/t5-,6?;/m0./s1
InChIKeyIGWAOEPNNZHHBV-GNVLWMSISA-N
MW379.08 g/mol
LogP-0.72
Rot. Bonds2

About hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten

hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten (PubChem CID 59075961) has the molecular formula C6H13NO4SW and a molecular weight of 379.08 g/mol. Its IUPAC name is hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten.

Molecular Properties

Compound Namehydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
PubChem CID59075961
Molecular FormulaC6H13NO4SW
Molecular Weight379.08 g/mol
Exact Mass379.01
IUPAC Namehydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
SMILESCN1CCC[C@H]1C(O)S(=O)(=O)O.[W]
InChIInChI=1S/C6H13NO4S.W/c1-7-4-2-3-5(7)6(8)12(9,10)11;/h5-6,8H,2-4H2,1H3,(H,9,10,11);/t5-,6?;/m0./s1
InChIKeyIGWAOEPNNZHHBV-GNVLWMSISA-N
XLogP-0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten?
The IUPAC name of hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten (CID 59075961) is hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten.
What is the SMILES notation for hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten?
The canonical SMILES for hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten is CN1CCC[C@H]1C(O)S(=O)(=O)O.[W].
What is the InChIKey of hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten?
The InChIKey is IGWAOEPNNZHHBV-GNVLWMSISA-N. The full InChI is InChI=1S/C6H13NO4S.W/c1-7-4-2-3-5(7)6(8)12(9,10)11;/h5-6,8H,2-4H2,1H3,(H,9,10,11);/t5-,6?;/m0./s1.
What are the key properties of hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten?
hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten has a molecular weight of 379.08 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten is sourced from PubChem (CID 59075961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).