pyrrolidine;thiolane

C8H17NS — CID 89462427

IUPACpyrrolidine;thiolane
SMILESC1CCNC1.C1CCSC1
InChIInChI=1S/C4H9N.C4H8S/c2*1-2-4-5-3-1/h5H,1-4H2;1-4H2
InChIKeyNAQQBILMTVNQLV-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds

About pyrrolidine;thiolane

pyrrolidine;thiolane (PubChem CID 89462427) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is pyrrolidine;thiolane.

Molecular Properties

Compound Namepyrrolidine;thiolane
PubChem CID89462427
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Namepyrrolidine;thiolane
SMILESC1CCNC1.C1CCSC1
InChIInChI=1S/C4H9N.C4H8S/c2*1-2-4-5-3-1/h5H,1-4H2;1-4H2
InChIKeyNAQQBILMTVNQLV-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze pyrrolidine;thiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-thiazonane
CID 55287589
1,4-thiazocane
CID 22566314
1-thia-4,9-diazacycloundecane
CID 175425397
piperidine;thiomorpholine
CID 144791977
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
CID 159787478
1,4,8-thiadiazecane;dihydrobromide
CID 71676594
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
thiacyclotridecane
CID 12543972
azepane;piperidine
CID 67415778
piperazine;pyrrolidine
CID 22624324
azacycloheptadecane
CID 22627811

Frequently Asked Questions

What is the IUPAC name of pyrrolidine;thiolane?
The IUPAC name of pyrrolidine;thiolane (CID 89462427) is pyrrolidine;thiolane.
What is the SMILES notation for pyrrolidine;thiolane?
The canonical SMILES for pyrrolidine;thiolane is C1CCNC1.C1CCSC1.
What is the InChIKey of pyrrolidine;thiolane?
The InChIKey is NAQQBILMTVNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H8S/c2*1-2-4-5-3-1/h5H,1-4H2;1-4H2.
What are the key properties of pyrrolidine;thiolane?
pyrrolidine;thiolane has a molecular weight of 159.30 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;thiolane is sourced from PubChem (CID 89462427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).