[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate

C5H12NO3PS — CID 59900622

IUPAC[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCN(P)C1
InChIInChI=1S/C5H12NO3PS/c1-11(7,8)9-5-2-3-6(10)4-5/h5H,2-4,10H2,1H3/t5-/m1/s1
InChIKeyOZUBBALPYALLKS-RXMQYKEDSA-N
MW197.20 g/mol
LogP-0.17
Rot. Bonds2

About [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate

[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate (PubChem CID 59900622) has the molecular formula C5H12NO3PS and a molecular weight of 197.20 g/mol. Its IUPAC name is [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate
PubChem CID59900622
Molecular FormulaC5H12NO3PS
Molecular Weight197.20 g/mol
Exact Mass197.03
IUPAC Name[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCN(P)C1
InChIInChI=1S/C5H12NO3PS/c1-11(7,8)9-5-2-3-6(10)4-5/h5H,2-4,10H2,1H3/t5-/m1/s1
InChIKeyOZUBBALPYALLKS-RXMQYKEDSA-N
XLogP-0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate?
The IUPAC name of [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate (CID 59900622) is [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate.
What is the SMILES notation for [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate?
The canonical SMILES for [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1CCN(P)C1.
What is the InChIKey of [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate?
The InChIKey is OZUBBALPYALLKS-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12NO3PS/c1-11(7,8)9-5-2-3-6(10)4-5/h5H,2-4,10H2,1H3/t5-/m1/s1.
What are the key properties of [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate?
[(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate has a molecular weight of 197.20 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-phosphanylpyrrolidin-3-yl] methanesulfonate is sourced from PubChem (CID 59900622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).