1-ethylsulfonylpyrrolidin-3-ol

C6H13NO3S — CID 62916609

IUPAC1-ethylsulfonylpyrrolidin-3-ol
SMILESCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H13NO3S/c1-2-11(9,10)7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyOUUHOLKGQZCZKD-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds2

About 1-ethylsulfonylpyrrolidin-3-ol

1-ethylsulfonylpyrrolidin-3-ol (PubChem CID 62916609) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-ethylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethylsulfonylpyrrolidin-3-ol
PubChem CID62916609
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-ethylsulfonylpyrrolidin-3-ol
SMILESCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H13NO3S/c1-2-11(9,10)7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyOUUHOLKGQZCZKD-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpyrrolidin-3-ol?
The IUPAC name of 1-ethylsulfonylpyrrolidin-3-ol (CID 62916609) is 1-ethylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-ethylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-ethylsulfonylpyrrolidin-3-ol is CCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-ethylsulfonylpyrrolidin-3-ol?
The InChIKey is OUUHOLKGQZCZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(9,10)7-4-3-6(8)5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-ethylsulfonylpyrrolidin-3-ol?
1-ethylsulfonylpyrrolidin-3-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62916609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).