cycloheptyl-(2,5-dibromothiophen-3-yl)methanone

C12H14Br2OS — CID 63491664

IUPACcycloheptyl-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCCC1
InChIInChI=1S/C12H14Br2OS/c13-10-7-9(12(14)16-10)11(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKeySLZHJYALIDPKJM-UHFFFAOYSA-N
MW366.12 g/mol
LogP5.43
Rot. Bonds2

About cycloheptyl-(2,5-dibromothiophen-3-yl)methanone

cycloheptyl-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 63491664) has the molecular formula C12H14Br2OS and a molecular weight of 366.12 g/mol. Its IUPAC name is cycloheptyl-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2,5-dibromothiophen-3-yl)methanone
PubChem CID63491664
Molecular FormulaC12H14Br2OS
Molecular Weight366.12 g/mol
Exact Mass363.91
IUPAC Namecycloheptyl-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCCC1
InChIInChI=1S/C12H14Br2OS/c13-10-7-9(12(14)16-10)11(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKeySLZHJYALIDPKJM-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.12
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone
CID 104518083
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
(2-bromothiophen-3-yl)-cyclopentylmethanone
CID 164654275
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809
(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329910
3-[(2,5-dibromothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 103932797
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79758228
1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of cycloheptyl-(2,5-dibromothiophen-3-yl)methanone (CID 63491664) is cycloheptyl-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for cycloheptyl-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for cycloheptyl-(2,5-dibromothiophen-3-yl)methanone is O=C(c1cc(Br)sc1Br)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is SLZHJYALIDPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2OS/c13-10-7-9(12(14)16-10)11(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2.
What are the key properties of cycloheptyl-(2,5-dibromothiophen-3-yl)methanone?
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 366.12 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 63491664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).