5-methyl-3-pyrrolidin-2-ylthiolan-3-ol

C9H17NOS — CID 79950769

IUPAC5-methyl-3-pyrrolidin-2-ylthiolan-3-ol
SMILESCC1CC(O)(C2CCCN2)CS1
InChIInChI=1S/C9H17NOS/c1-7-5-9(11,6-12-7)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyGDYMDQCZKJPYHI-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.99
Rot. Bonds1

About 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol

5-methyl-3-pyrrolidin-2-ylthiolan-3-ol (PubChem CID 79950769) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-pyrrolidin-2-ylthiolan-3-ol
PubChem CID79950769
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name5-methyl-3-pyrrolidin-2-ylthiolan-3-ol
SMILESCC1CC(O)(C2CCCN2)CS1
InChIInChI=1S/C9H17NOS/c1-7-5-9(11,6-12-7)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyGDYMDQCZKJPYHI-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The IUPAC name of 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol (CID 79950769) is 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol.
What is the SMILES notation for 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The canonical SMILES for 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol is CC1CC(O)(C2CCCN2)CS1.
What is the InChIKey of 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The InChIKey is GDYMDQCZKJPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7-5-9(11,6-12-7)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
5-methyl-3-pyrrolidin-2-ylthiolan-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrrolidin-2-ylthiolan-3-ol is sourced from PubChem (CID 79950769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).