4-methylsulfanylpyrrolidin-3-ol

C5H11NOS — CID 54350545

IUPAC4-methylsulfanylpyrrolidin-3-ol
SMILESCSC1CNCC1O
InChIInChI=1S/C5H11NOS/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3
InChIKeyUWDNPOTXQLCTHO-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.32
Rot. Bonds1

About 4-methylsulfanylpyrrolidin-3-ol

4-methylsulfanylpyrrolidin-3-ol (PubChem CID 54350545) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 4-methylsulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-methylsulfanylpyrrolidin-3-ol
PubChem CID54350545
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name4-methylsulfanylpyrrolidin-3-ol
SMILESCSC1CNCC1O
InChIInChI=1S/C5H11NOS/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3
InChIKeyUWDNPOTXQLCTHO-UHFFFAOYSA-N
XLogP-0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyrrolidin-3-ol?
The IUPAC name of 4-methylsulfanylpyrrolidin-3-ol (CID 54350545) is 4-methylsulfanylpyrrolidin-3-ol.
What is the SMILES notation for 4-methylsulfanylpyrrolidin-3-ol?
The canonical SMILES for 4-methylsulfanylpyrrolidin-3-ol is CSC1CNCC1O.
What is the InChIKey of 4-methylsulfanylpyrrolidin-3-ol?
The InChIKey is UWDNPOTXQLCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3.
What are the key properties of 4-methylsulfanylpyrrolidin-3-ol?
4-methylsulfanylpyrrolidin-3-ol has a molecular weight of 133.22 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyrrolidin-3-ol is sourced from PubChem (CID 54350545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).