3-(methylsulfanyloxymethyl)pyrrolidine

C6H13NOS — CID 142599735

IUPAC3-(methylsulfanyloxymethyl)pyrrolidine
SMILESCSOCC1CCNC1
InChIInChI=1S/C6H13NOS/c1-9-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyYKXIUVOPQQEYMT-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.89
Rot. Bonds3

About 3-(methylsulfanyloxymethyl)pyrrolidine

3-(methylsulfanyloxymethyl)pyrrolidine (PubChem CID 142599735) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(methylsulfanyloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(methylsulfanyloxymethyl)pyrrolidine
PubChem CID142599735
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(methylsulfanyloxymethyl)pyrrolidine
SMILESCSOCC1CCNC1
InChIInChI=1S/C6H13NOS/c1-9-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyYKXIUVOPQQEYMT-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanyloxymethyl)pyrrolidine?
The IUPAC name of 3-(methylsulfanyloxymethyl)pyrrolidine (CID 142599735) is 3-(methylsulfanyloxymethyl)pyrrolidine.
What is the SMILES notation for 3-(methylsulfanyloxymethyl)pyrrolidine?
The canonical SMILES for 3-(methylsulfanyloxymethyl)pyrrolidine is CSOCC1CCNC1.
What is the InChIKey of 3-(methylsulfanyloxymethyl)pyrrolidine?
The InChIKey is YKXIUVOPQQEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(methylsulfanyloxymethyl)pyrrolidine?
3-(methylsulfanyloxymethyl)pyrrolidine has a molecular weight of 147.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanyloxymethyl)pyrrolidine is sourced from PubChem (CID 142599735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).