3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile

C11H15BrN2S — CID 106047119

IUPAC3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2S/c1-2-9(5-7-13)14-8-6-10-3-4-11(12)15-10/h3-4,9,14H,2,5-6,8H2,1H3
InChIKeyGOTNBZJCTVSZKL-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.33
Rot. Bonds6

About 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile

3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile (PubChem CID 106047119) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
PubChem CID106047119
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2S/c1-2-9(5-7-13)14-8-6-10-3-4-11(12)15-10/h3-4,9,14H,2,5-6,8H2,1H3
InChIKeyGOTNBZJCTVSZKL-UHFFFAOYSA-N
XLogP3.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
CID 106046568
3-[2-(5-bromothiophen-2-yl)ethylamino]-3-phenylpropanenitrile
CID 106047150
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pentanenitrile
CID 43368462
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917395
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927
2-[5-[(1-cyanobutan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82895030
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
CID 63452371

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile (CID 106047119) is 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile is CCC(CC#N)NCCc1ccc(Br)s1.
What is the InChIKey of 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile?
The InChIKey is GOTNBZJCTVSZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-2-9(5-7-13)14-8-6-10-3-4-11(12)15-10/h3-4,9,14H,2,5-6,8H2,1H3.
What are the key properties of 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile?
3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile has a molecular weight of 287.23 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 106047119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).