2,5-dimethyl-1-(thiolan-3-yl)pyrrole

C10H15NS — CID 103064400

IUPAC2,5-dimethyl-1-(thiolan-3-yl)pyrrole
SMILESCc1ccc(C)n1C1CCSC1
InChIInChI=1S/C10H15NS/c1-8-3-4-9(2)11(8)10-5-6-12-7-10/h3-4,10H,5-7H2,1-2H3
InChIKeyCZKIHPXXRSQEKB-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.78
Rot. Bonds1

About 2,5-dimethyl-1-(thiolan-3-yl)pyrrole

2,5-dimethyl-1-(thiolan-3-yl)pyrrole (PubChem CID 103064400) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(thiolan-3-yl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(thiolan-3-yl)pyrrole
PubChem CID103064400
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2,5-dimethyl-1-(thiolan-3-yl)pyrrole
SMILESCc1ccc(C)n1C1CCSC1
InChIInChI=1S/C10H15NS/c1-8-3-4-9(2)11(8)10-5-6-12-7-10/h3-4,10H,5-7H2,1-2H3
InChIKeyCZKIHPXXRSQEKB-UHFFFAOYSA-N
XLogP2.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(thiolan-3-yl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(thiolan-3-yl)pyrrole (CID 103064400) is 2,5-dimethyl-1-(thiolan-3-yl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(thiolan-3-yl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(thiolan-3-yl)pyrrole is Cc1ccc(C)n1C1CCSC1.
What is the InChIKey of 2,5-dimethyl-1-(thiolan-3-yl)pyrrole?
The InChIKey is CZKIHPXXRSQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-3-4-9(2)11(8)10-5-6-12-7-10/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(thiolan-3-yl)pyrrole?
2,5-dimethyl-1-(thiolan-3-yl)pyrrole has a molecular weight of 181.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(thiolan-3-yl)pyrrole is sourced from PubChem (CID 103064400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).