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

C11H15ClN2S — CID 106046568

IUPAC3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2S/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
InChIKeyWXGYSRHMCPKBJG-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.23
Rot. Bonds6

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

3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile (PubChem CID 106046568) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
PubChem CID106046568
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2S/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
InChIKeyWXGYSRHMCPKBJG-UHFFFAOYSA-N
XLogP3.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
CID 106047119
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
4-(5-chlorothiophen-2-yl)butanenitrile
CID 82075240
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pentanenitrile
CID 43368462
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
CID 106035235
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
CID 106041158
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile (CID 106046568) is 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile is CCC(CC#N)NCCc1ccc(Cl)s1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile?
The InChIKey is WXGYSRHMCPKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/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-chlorothiophen-2-yl)ethylamino]pentanenitrile?
3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile has a molecular weight of 242.77 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 106046568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).