5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol

C9H18N2O3S — CID 153475228

IUPAC5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol
SMILESCC1CCC(O)N1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-8-4-5-9(12)11(8)15(13,14)10-6-2-3-7-10/h8-9,12H,2-7H2,1H3
InChIKeyCQLQAZHNNNOXHN-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.13
Rot. Bonds2

About 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol

5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol (PubChem CID 153475228) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol.

Molecular Properties

Compound Name5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol
PubChem CID153475228
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol
SMILESCC1CCC(O)N1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-8-4-5-9(12)11(8)15(13,14)10-6-2-3-7-10/h8-9,12H,2-7H2,1H3
InChIKeyCQLQAZHNNNOXHN-UHFFFAOYSA-N
XLogP0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol?
The IUPAC name of 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol (CID 153475228) is 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol.
What is the SMILES notation for 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol?
The canonical SMILES for 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol is CC1CCC(O)N1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol?
The InChIKey is CQLQAZHNNNOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8-4-5-9(12)11(8)15(13,14)10-6-2-3-7-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol?
5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol has a molecular weight of 234.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol is sourced from PubChem (CID 153475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).