1-propan-2-ylsulfonylpyrrolidine-3,4-diol

C7H15NO4S — CID 106672509

IUPAC1-propan-2-ylsulfonylpyrrolidine-3,4-diol
SMILESCC(C)S(=O)(=O)N1CC(O)C(O)C1
InChIInChI=1S/C7H15NO4S/c1-5(2)13(11,12)8-3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyNNNHAFXNLVRTGV-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.24
Rot. Bonds2

About 1-propan-2-ylsulfonylpyrrolidine-3,4-diol

1-propan-2-ylsulfonylpyrrolidine-3,4-diol (PubChem CID 106672509) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpyrrolidine-3,4-diol
PubChem CID106672509
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name1-propan-2-ylsulfonylpyrrolidine-3,4-diol
SMILESCC(C)S(=O)(=O)N1CC(O)C(O)C1
InChIInChI=1S/C7H15NO4S/c1-5(2)13(11,12)8-3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyNNNHAFXNLVRTGV-UHFFFAOYSA-N
XLogP-1.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-propan-2-ylsulfonylpyrrolidine-3,4-diol (CID 106672509) is 1-propan-2-ylsulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-propan-2-ylsulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-propan-2-ylsulfonylpyrrolidine-3,4-diol is CC(C)S(=O)(=O)N1CC(O)C(O)C1.
What is the InChIKey of 1-propan-2-ylsulfonylpyrrolidine-3,4-diol?
The InChIKey is NNNHAFXNLVRTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)13(11,12)8-3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylpyrrolidine-3,4-diol?
1-propan-2-ylsulfonylpyrrolidine-3,4-diol has a molecular weight of 209.27 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).