1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile

C14H16N2S — CID 114268853

IUPAC1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
SMILESCC(C)SCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H16N2S/c1-11(2)17-8-7-16-6-5-13-9-12(10-15)3-4-14(13)16/h3-6,9,11H,7-8H2,1-2H3
InChIKeyWIQAPJWGSYQSJF-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile

1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile (PubChem CID 114268853) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
PubChem CID114268853
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
SMILESCC(C)SCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H16N2S/c1-11(2)17-8-7-16-6-5-13-9-12(10-15)3-4-14(13)16/h3-6,9,11H,7-8H2,1-2H3
InChIKeyWIQAPJWGSYQSJF-UHFFFAOYSA-N
XLogP3.65
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
CID 107920442
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-(2-anilinoethyl)indole-5-carbonitrile
CID 107920038
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
(Z)-4-(5-cyanoindol-1-yl)-2-methylbut-2-enoic acid
CID 107919718
1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926
(4-cyanophenyl)methyl 2-[3-(5-cyanoindol-1-yl)propanoylamino]propanoate
CID 70078914

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile?
The IUPAC name of 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile (CID 114268853) is 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile?
The canonical SMILES for 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile is CC(C)SCCn1ccc2cc(C#N)ccc21.
What is the InChIKey of 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile?
The InChIKey is WIQAPJWGSYQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11(2)17-8-7-16-6-5-13-9-12(10-15)3-4-14(13)16/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile?
1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile has a molecular weight of 244.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile is sourced from PubChem (CID 114268853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).