2-(1-methoxyethyl)-1-sulfanylpyrrolidine

C7H15NOS — CID 22002675

IUPAC2-(1-methoxyethyl)-1-sulfanylpyrrolidine
SMILESCOC(C)C1CCCN1S
InChIInChI=1S/C7H15NOS/c1-6(9-2)7-4-3-5-8(7)10/h6-7,10H,3-5H2,1-2H3
InChIKeyVTOWGTIIUOXKLZ-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.33
Rot. Bonds2

About 2-(1-methoxyethyl)-1-sulfanylpyrrolidine

2-(1-methoxyethyl)-1-sulfanylpyrrolidine (PubChem CID 22002675) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-1-sulfanylpyrrolidine
PubChem CID22002675
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(1-methoxyethyl)-1-sulfanylpyrrolidine
SMILESCOC(C)C1CCCN1S
InChIInChI=1S/C7H15NOS/c1-6(9-2)7-4-3-5-8(7)10/h6-7,10H,3-5H2,1-2H3
InChIKeyVTOWGTIIUOXKLZ-UHFFFAOYSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.33
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-(1-methoxyethyl)-1-sulfanylpyrrolidine?
The IUPAC name of 2-(1-methoxyethyl)-1-sulfanylpyrrolidine (CID 22002675) is 2-(1-methoxyethyl)-1-sulfanylpyrrolidine.
What is the SMILES notation for 2-(1-methoxyethyl)-1-sulfanylpyrrolidine?
The canonical SMILES for 2-(1-methoxyethyl)-1-sulfanylpyrrolidine is COC(C)C1CCCN1S.
What is the InChIKey of 2-(1-methoxyethyl)-1-sulfanylpyrrolidine?
The InChIKey is VTOWGTIIUOXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(9-2)7-4-3-5-8(7)10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-1-sulfanylpyrrolidine?
2-(1-methoxyethyl)-1-sulfanylpyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-1-sulfanylpyrrolidine is sourced from PubChem (CID 22002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).