1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol

C7H15NO4S — CID 62917128

IUPAC1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCOCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C7H15NO4S/c1-12-4-5-13(10,11)8-3-2-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyAKKNADUEUIAIEB-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.97
Rot. Bonds4

About 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol

1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol (PubChem CID 62917128) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
PubChem CID62917128
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCOCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C7H15NO4S/c1-12-4-5-13(10,11)8-3-2-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyAKKNADUEUIAIEB-UHFFFAOYSA-N
XLogP-0.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol (CID 62917128) is 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol is COCCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is AKKNADUEUIAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-12-4-5-13(10,11)8-3-2-7(9)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 209.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 62917128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).