1-(2-sulfinylethyl)pyrrolidine

C6H11NOS — CID 87082225

IUPAC1-(2-sulfinylethyl)pyrrolidine
SMILESO=S=CCN1CCCC1
InChIInChI=1S/C6H11NOS/c8-9-6-5-7-3-1-2-4-7/h6H,1-5H2
InChIKeyWPICAXHJBMEYKL-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.10
Rot. Bonds2

About 1-(2-sulfinylethyl)pyrrolidine

1-(2-sulfinylethyl)pyrrolidine (PubChem CID 87082225) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-(2-sulfinylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-sulfinylethyl)pyrrolidine
PubChem CID87082225
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-(2-sulfinylethyl)pyrrolidine
SMILESO=S=CCN1CCCC1
InChIInChI=1S/C6H11NOS/c8-9-6-5-7-3-1-2-4-7/h6H,1-5H2
InChIKeyWPICAXHJBMEYKL-UHFFFAOYSA-N
XLogP0.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfinylethyl)pyrrolidine?
The IUPAC name of 1-(2-sulfinylethyl)pyrrolidine (CID 87082225) is 1-(2-sulfinylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-sulfinylethyl)pyrrolidine?
The canonical SMILES for 1-(2-sulfinylethyl)pyrrolidine is O=S=CCN1CCCC1.
What is the InChIKey of 1-(2-sulfinylethyl)pyrrolidine?
The InChIKey is WPICAXHJBMEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c8-9-6-5-7-3-1-2-4-7/h6H,1-5H2.
What are the key properties of 1-(2-sulfinylethyl)pyrrolidine?
1-(2-sulfinylethyl)pyrrolidine has a molecular weight of 145.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfinylethyl)pyrrolidine is sourced from PubChem (CID 87082225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).