(3R)-3-methylsulfanylpyrrolidine

C5H11NS — CID 94401655

IUPAC(3R)-3-methylsulfanylpyrrolidine
SMILESCS[C@@H]1CCNC1
InChIInChI=1S/C5H11NS/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyYRUWMEUBLIEWGY-RXMQYKEDSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds1

About (3R)-3-methylsulfanylpyrrolidine

(3R)-3-methylsulfanylpyrrolidine (PubChem CID 94401655) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (3R)-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-methylsulfanylpyrrolidine
PubChem CID94401655
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(3R)-3-methylsulfanylpyrrolidine
SMILESCS[C@@H]1CCNC1
InChIInChI=1S/C5H11NS/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyYRUWMEUBLIEWGY-RXMQYKEDSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylsulfanylpyrrolidine?
The IUPAC name of (3R)-3-methylsulfanylpyrrolidine (CID 94401655) is (3R)-3-methylsulfanylpyrrolidine.
What is the SMILES notation for (3R)-3-methylsulfanylpyrrolidine?
The canonical SMILES for (3R)-3-methylsulfanylpyrrolidine is CS[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-methylsulfanylpyrrolidine?
The InChIKey is YRUWMEUBLIEWGY-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NS/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylsulfanylpyrrolidine?
(3R)-3-methylsulfanylpyrrolidine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 94401655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).