1-methylsulfinylpyrrolidine

C5H11NOS — CID 69491314

IUPAC1-methylsulfinylpyrrolidine
SMILESCS(=O)N1CCCC1
InChIInChI=1S/C5H11NOS/c1-8(7)6-4-2-3-5-6/h2-5H2,1H3
InChIKeySXZUTVDUIDIRCL-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.38
Rot. Bonds1

About 1-methylsulfinylpyrrolidine

1-methylsulfinylpyrrolidine (PubChem CID 69491314) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-methylsulfinylpyrrolidine.

Molecular Properties

Compound Name1-methylsulfinylpyrrolidine
PubChem CID69491314
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-methylsulfinylpyrrolidine
SMILESCS(=O)N1CCCC1
InChIInChI=1S/C5H11NOS/c1-8(7)6-4-2-3-5-6/h2-5H2,1H3
InChIKeySXZUTVDUIDIRCL-UHFFFAOYSA-N
XLogP0.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylpyrrolidine?
The IUPAC name of 1-methylsulfinylpyrrolidine (CID 69491314) is 1-methylsulfinylpyrrolidine.
What is the SMILES notation for 1-methylsulfinylpyrrolidine?
The canonical SMILES for 1-methylsulfinylpyrrolidine is CS(=O)N1CCCC1.
What is the InChIKey of 1-methylsulfinylpyrrolidine?
The InChIKey is SXZUTVDUIDIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8(7)6-4-2-3-5-6/h2-5H2,1H3.
What are the key properties of 1-methylsulfinylpyrrolidine?
1-methylsulfinylpyrrolidine has a molecular weight of 133.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylpyrrolidine is sourced from PubChem (CID 69491314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).