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

C13H17Br2NOS — CID 63631967

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)CC1CCCC1
InChIInChI=1S/C13H17Br2NOS/c1-16(7-9-4-2-3-5-9)8-11(17)10-6-12(14)18-13(10)15/h6,9H,2-5,7-8H2,1H3
InChIKeyKLFSYBGAJJMAPG-UHFFFAOYSA-N
MW395.16 g/mol
LogP4.58
Rot. Bonds5

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

2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 63631967) has the molecular formula C13H17Br2NOS and a molecular weight of 395.16 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID63631967
Molecular FormulaC13H17Br2NOS
Molecular Weight395.16 g/mol
Exact Mass392.94
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)CC1CCCC1
InChIInChI=1S/C13H17Br2NOS/c1-16(7-9-4-2-3-5-9)8-11(17)10-6-12(14)18-13(10)15/h6,9H,2-5,7-8H2,1H3
InChIKeyKLFSYBGAJJMAPG-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (CID 63631967) is 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is CN(CC(=O)c1cc(Br)sc1Br)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is KLFSYBGAJJMAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NOS/c1-16(7-9-4-2-3-5-9)8-11(17)10-6-12(14)18-13(10)15/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 395.16 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 63631967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).