1-(thiolan-2-yl)pyrrole

C8H11NS — CID 67083380

IUPAC1-(thiolan-2-yl)pyrrole
SMILESc1ccn(C2CCCS2)c1
InChIInChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h1-2,5-6,8H,3-4,7H2
InChIKeyUFDFLTWLYKSMHC-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.51
Rot. Bonds1

About 1-(thiolan-2-yl)pyrrole

1-(thiolan-2-yl)pyrrole (PubChem CID 67083380) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-(thiolan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(thiolan-2-yl)pyrrole
PubChem CID67083380
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-(thiolan-2-yl)pyrrole
SMILESc1ccn(C2CCCS2)c1
InChIInChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h1-2,5-6,8H,3-4,7H2
InChIKeyUFDFLTWLYKSMHC-UHFFFAOYSA-N
XLogP2.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)pyrrole?
The IUPAC name of 1-(thiolan-2-yl)pyrrole (CID 67083380) is 1-(thiolan-2-yl)pyrrole.
What is the SMILES notation for 1-(thiolan-2-yl)pyrrole?
The canonical SMILES for 1-(thiolan-2-yl)pyrrole is c1ccn(C2CCCS2)c1.
What is the InChIKey of 1-(thiolan-2-yl)pyrrole?
The InChIKey is UFDFLTWLYKSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 1-(thiolan-2-yl)pyrrole?
1-(thiolan-2-yl)pyrrole has a molecular weight of 153.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)pyrrole is sourced from PubChem (CID 67083380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).