3-(pyrrolidin-1-ylmethyl)thiolan-3-ol

C9H17NOS — CID 84732873

IUPAC3-(pyrrolidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCCC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-6-12-8-9)7-10-4-1-2-5-10/h11H,1-8H2
InChIKeyBRWIHPQTVBJFPE-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.95
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol

3-(pyrrolidin-1-ylmethyl)thiolan-3-ol (PubChem CID 84732873) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)thiolan-3-ol
PubChem CID84732873
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-(pyrrolidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCCC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-6-12-8-9)7-10-4-1-2-5-10/h11H,1-8H2
InChIKeyBRWIHPQTVBJFPE-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol (CID 84732873) is 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol is OC1(CN2CCCC2)CCSC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol?
The InChIKey is BRWIHPQTVBJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(3-6-12-8-9)7-10-4-1-2-5-10/h11H,1-8H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol?
3-(pyrrolidin-1-ylmethyl)thiolan-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 84732873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).