(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone

C11H14BrNOS — CID 130702895

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(C)C2)sc1Br
InChIInChI=1S/C11H14BrNOS/c1-7-4-8(15-9(7)12)10(14)13-5-11(2,3)6-13/h4H,5-6H2,1-3H3
InChIKeyFQFFPZZHGAYXKF-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.30
Rot. Bonds1

About (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone (PubChem CID 130702895) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
PubChem CID130702895
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(C)C2)sc1Br
InChIInChI=1S/C11H14BrNOS/c1-7-4-8(15-9(7)12)10(14)13-5-11(2,3)6-13/h4H,5-6H2,1-3H3
InChIKeyFQFFPZZHGAYXKF-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone (CID 130702895) is (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone is Cc1cc(C(=O)N2CC(C)(C)C2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The InChIKey is FQFFPZZHGAYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-4-8(15-9(7)12)10(14)13-5-11(2,3)6-13/h4H,5-6H2,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone is sourced from PubChem (CID 130702895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).