3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine

C10H14BrNS — CID 130835554

IUPAC3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2ccsc2Br)CNC1
InChIInChI=1S/C10H14BrNS/c1-2-10(6-12-7-10)5-8-3-4-13-9(8)11/h3-4,12H,2,5-7H2,1H3
InChIKeyZLUYBQAQXLTNOK-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.05
Rot. Bonds3

About 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine

3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine (PubChem CID 130835554) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine.

Molecular Properties

Compound Name3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine
PubChem CID130835554
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine
SMILESCCC1(Cc2ccsc2Br)CNC1
InChIInChI=1S/C10H14BrNS/c1-2-10(6-12-7-10)5-8-3-4-13-9(8)11/h3-4,12H,2,5-7H2,1H3
InChIKeyZLUYBQAQXLTNOK-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine?
The IUPAC name of 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine (CID 130835554) is 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine.
What is the SMILES notation for 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine?
The canonical SMILES for 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine is CCC1(Cc2ccsc2Br)CNC1.
What is the InChIKey of 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine?
The InChIKey is ZLUYBQAQXLTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-2-10(6-12-7-10)5-8-3-4-13-9(8)11/h3-4,12H,2,5-7H2,1H3.
What are the key properties of 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine?
3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine has a molecular weight of 260.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine is sourced from PubChem (CID 130835554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).