1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile

C17H17N3S — CID 107916964

IUPAC1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile
SMILESCC(NCCn1ccc2ccc(C#N)cc21)c1cccs1
InChIInChI=1S/C17H17N3S/c1-13(17-3-2-10-21-17)19-7-9-20-8-6-15-5-4-14(12-18)11-16(15)20/h2-6,8,10-11,13,19H,7,9H2,1H3
InChIKeyFARPHIBEZOTJSY-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.93
Rot. Bonds5

About 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile

1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile (PubChem CID 107916964) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile
PubChem CID107916964
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile
SMILESCC(NCCn1ccc2ccc(C#N)cc21)c1cccs1
InChIInChI=1S/C17H17N3S/c1-13(17-3-2-10-21-17)19-7-9-20-8-6-15-5-4-14(12-18)11-16(15)20/h2-6,8,10-11,13,19H,7,9H2,1H3
InChIKeyFARPHIBEZOTJSY-UHFFFAOYSA-N
XLogP3.93
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 83164912
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63504332
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
3-methyl-4-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 104930148
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
3-chloro-4-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 102664075
1-[2-(3-bromoanilino)ethyl]indole-6-carbonitrile
CID 107916920
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile?
The IUPAC name of 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile (CID 107916964) is 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile?
The canonical SMILES for 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile is CC(NCCn1ccc2ccc(C#N)cc21)c1cccs1.
What is the InChIKey of 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile?
The InChIKey is FARPHIBEZOTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-13(17-3-2-10-21-17)19-7-9-20-8-6-15-5-4-14(12-18)11-16(15)20/h2-6,8,10-11,13,19H,7,9H2,1H3.
What are the key properties of 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile?
1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile has a molecular weight of 295.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-thiophen-2-ylethylamino)ethyl]indole-6-carbonitrile is sourced from PubChem (CID 107916964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).