3-(5-propan-2-ylthiophen-2-yl)azetidine

C10H15NS — CID 177099821

IUPAC3-(5-propan-2-ylthiophen-2-yl)azetidine
SMILESCC(C)c1ccc(C2CNC2)s1
InChIInChI=1S/C10H15NS/c1-7(2)9-3-4-10(12-9)8-5-11-6-8/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyHEBAFMBAUBFAHW-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.56
Rot. Bonds2

About 3-(5-propan-2-ylthiophen-2-yl)azetidine

3-(5-propan-2-ylthiophen-2-yl)azetidine (PubChem CID 177099821) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-(5-propan-2-ylthiophen-2-yl)azetidine.

Molecular Properties

Compound Name3-(5-propan-2-ylthiophen-2-yl)azetidine
PubChem CID177099821
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-(5-propan-2-ylthiophen-2-yl)azetidine
SMILESCC(C)c1ccc(C2CNC2)s1
InChIInChI=1S/C10H15NS/c1-7(2)9-3-4-10(12-9)8-5-11-6-8/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyHEBAFMBAUBFAHW-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-ylthiophen-2-yl)azetidine?
The IUPAC name of 3-(5-propan-2-ylthiophen-2-yl)azetidine (CID 177099821) is 3-(5-propan-2-ylthiophen-2-yl)azetidine.
What is the SMILES notation for 3-(5-propan-2-ylthiophen-2-yl)azetidine?
The canonical SMILES for 3-(5-propan-2-ylthiophen-2-yl)azetidine is CC(C)c1ccc(C2CNC2)s1.
What is the InChIKey of 3-(5-propan-2-ylthiophen-2-yl)azetidine?
The InChIKey is HEBAFMBAUBFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)9-3-4-10(12-9)8-5-11-6-8/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 3-(5-propan-2-ylthiophen-2-yl)azetidine?
3-(5-propan-2-ylthiophen-2-yl)azetidine has a molecular weight of 181.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-ylthiophen-2-yl)azetidine is sourced from PubChem (CID 177099821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).