1-(2-propylsulfonylethyl)indole-4-carbonitrile

C14H16N2O2S — CID 107919189

IUPAC1-(2-propylsulfonylethyl)indole-4-carbonitrile
SMILESCCCS(=O)(=O)CCn1ccc2c(C#N)cccc21
InChIInChI=1S/C14H16N2O2S/c1-2-9-19(17,18)10-8-16-7-6-13-12(11-15)4-3-5-14(13)16/h3-7H,2,8-10H2,1H3
InChIKeyVUEPIFFVRHAIHM-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-propylsulfonylethyl)indole-4-carbonitrile

1-(2-propylsulfonylethyl)indole-4-carbonitrile (PubChem CID 107919189) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)indole-4-carbonitrile
PubChem CID107919189
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(2-propylsulfonylethyl)indole-4-carbonitrile
SMILESCCCS(=O)(=O)CCn1ccc2c(C#N)cccc21
InChIInChI=1S/C14H16N2O2S/c1-2-9-19(17,18)10-8-16-7-6-13-12(11-15)4-3-5-14(13)16/h3-7H,2,8-10H2,1H3
InChIKeyVUEPIFFVRHAIHM-UHFFFAOYSA-N
XLogP2.34
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-pent-4-ynylindole-4-carbonitrile
CID 107918825
1-(2-methylbutyl)indole-4-carbonitrile
CID 107919093
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)indole-4-carbonitrile?
The IUPAC name of 1-(2-propylsulfonylethyl)indole-4-carbonitrile (CID 107919189) is 1-(2-propylsulfonylethyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(2-propylsulfonylethyl)indole-4-carbonitrile?
The canonical SMILES for 1-(2-propylsulfonylethyl)indole-4-carbonitrile is CCCS(=O)(=O)CCn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-(2-propylsulfonylethyl)indole-4-carbonitrile?
The InChIKey is VUEPIFFVRHAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-9-19(17,18)10-8-16-7-6-13-12(11-15)4-3-5-14(13)16/h3-7H,2,8-10H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)indole-4-carbonitrile?
1-(2-propylsulfonylethyl)indole-4-carbonitrile has a molecular weight of 276.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)indole-4-carbonitrile is sourced from PubChem (CID 107919189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).