2-methoxy-1-sulfanylpyrrolidine

C5H11NOS — CID 173178094

IUPAC2-methoxy-1-sulfanylpyrrolidine
SMILESCOC1CCCN1S
InChIInChI=1S/C5H11NOS/c1-7-5-3-2-4-6(5)8/h5,8H,2-4H2,1H3
InChIKeyPHCDKLMJHAYTFR-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.90
Rot. Bonds1

About 2-methoxy-1-sulfanylpyrrolidine

2-methoxy-1-sulfanylpyrrolidine (PubChem CID 173178094) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-methoxy-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name2-methoxy-1-sulfanylpyrrolidine
PubChem CID173178094
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2-methoxy-1-sulfanylpyrrolidine
SMILESCOC1CCCN1S
InChIInChI=1S/C5H11NOS/c1-7-5-3-2-4-6(5)8/h5,8H,2-4H2,1H3
InChIKeyPHCDKLMJHAYTFR-UHFFFAOYSA-N
XLogP0.90
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-sulfanylpyrrolidine?
The IUPAC name of 2-methoxy-1-sulfanylpyrrolidine (CID 173178094) is 2-methoxy-1-sulfanylpyrrolidine.
What is the SMILES notation for 2-methoxy-1-sulfanylpyrrolidine?
The canonical SMILES for 2-methoxy-1-sulfanylpyrrolidine is COC1CCCN1S.
What is the InChIKey of 2-methoxy-1-sulfanylpyrrolidine?
The InChIKey is PHCDKLMJHAYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-7-5-3-2-4-6(5)8/h5,8H,2-4H2,1H3.
What are the key properties of 2-methoxy-1-sulfanylpyrrolidine?
2-methoxy-1-sulfanylpyrrolidine has a molecular weight of 133.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-sulfanylpyrrolidine is sourced from PubChem (CID 173178094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).