1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone

C11H13Br2NOS2 — CID 62050789

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)C1CCSC1
InChIInChI=1S/C11H13Br2NOS2/c1-14(7-2-3-16-6-7)5-9(15)8-4-10(12)17-11(8)13/h4,7H,2-3,5-6H2,1H3
InChIKeyFDZNTMWSSIZPLC-UHFFFAOYSA-N
MW399.17 g/mol
LogP3.89
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone (PubChem CID 62050789) has the molecular formula C11H13Br2NOS2 and a molecular weight of 399.17 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
PubChem CID62050789
Molecular FormulaC11H13Br2NOS2
Molecular Weight399.17 g/mol
Exact Mass396.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)C1CCSC1
InChIInChI=1S/C11H13Br2NOS2/c1-14(7-2-3-16-6-7)5-9(15)8-4-10(12)17-11(8)13/h4,7H,2-3,5-6H2,1H3
InChIKeyFDZNTMWSSIZPLC-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone (CID 62050789) is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone is CN(CC(=O)c1cc(Br)sc1Br)C1CCSC1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The InChIKey is FDZNTMWSSIZPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NOS2/c1-14(7-2-3-16-6-7)5-9(15)8-4-10(12)17-11(8)13/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone has a molecular weight of 399.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone is sourced from PubChem (CID 62050789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).