4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol

C7H15NO2S — CID 63704490

IUPAC4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol
SMILESCOCCSC1CNCC1O
InChIInChI=1S/C7H15NO2S/c1-10-2-3-11-7-5-8-4-6(7)9/h6-9H,2-5H2,1H3
InChIKeyJRVLFLDSOKKNBQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.30
Rot. Bonds4

About 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol

4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol (PubChem CID 63704490) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol
PubChem CID63704490
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol
SMILESCOCCSC1CNCC1O
InChIInChI=1S/C7H15NO2S/c1-10-2-3-11-7-5-8-4-6(7)9/h6-9H,2-5H2,1H3
InChIKeyJRVLFLDSOKKNBQ-UHFFFAOYSA-N
XLogP-0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol?
The IUPAC name of 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol (CID 63704490) is 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol is COCCSC1CNCC1O.
What is the InChIKey of 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol?
The InChIKey is JRVLFLDSOKKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-10-2-3-11-7-5-8-4-6(7)9/h6-9H,2-5H2,1H3.
What are the key properties of 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol?
4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol has a molecular weight of 177.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanyl)pyrrolidin-3-ol is sourced from PubChem (CID 63704490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).