1-(2-propylsulfonylethyl)indole-6-carbonitrile

C14H16N2O2S — CID 107917116

IUPAC1-(2-propylsulfonylethyl)indole-6-carbonitrile
SMILESCCCS(=O)(=O)CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O2S/c1-2-8-19(17,18)9-7-16-6-5-13-4-3-12(11-15)10-14(13)16/h3-6,10H,2,7-9H2,1H3
InChIKeyNBCILFIKLKDHIW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-propylsulfonylethyl)indole-6-carbonitrile

1-(2-propylsulfonylethyl)indole-6-carbonitrile (PubChem CID 107917116) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)indole-6-carbonitrile
PubChem CID107917116
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(2-propylsulfonylethyl)indole-6-carbonitrile
SMILESCCCS(=O)(=O)CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O2S/c1-2-8-19(17,18)9-7-16-6-5-13-4-3-12(11-15)10-14(13)16/h3-6,10H,2,7-9H2,1H3
InChIKeyNBCILFIKLKDHIW-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

Gsk-2881078
CID 86709174
1-Methyl-1H-indole-3-carbonitrile
CID 2307681
1-(4-(methylsulfonyl)phenyl)-1H-indole
CID 11958319
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indole-5-carbonitrile
CID 9863380
[2-(1-Methanesulfonyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10199220
[2-(3-Benzenesulfonyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 12147013
{2-[6-(3,6-Dihydro-2H-thiopyran-4-yl)-indol-1-yl]-ethyl}-dimethyl-amine
CID 18007501
Dimethyl-{2-[6-(tetrahydro-thiopyran-4-yl)-indol-1-yl]-ethyl}-amine
CID 18007572
N-(3-(4-cyanophenyl)-1-ethyl-1H-indol-6-yl)methanesulfonamide
CID 24739836
3-(6-cyano-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-dimethyl-propane-1-sulfonamide
CID 44192214
N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide
CID 58694132
Ethanesulfonic acid [5-(3-cyano-1-methyl-1h-indol-2-yl)-pyridin-3-yl]-amide
CID 59534652

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)indole-6-carbonitrile?
The IUPAC name of 1-(2-propylsulfonylethyl)indole-6-carbonitrile (CID 107917116) is 1-(2-propylsulfonylethyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(2-propylsulfonylethyl)indole-6-carbonitrile?
The canonical SMILES for 1-(2-propylsulfonylethyl)indole-6-carbonitrile is CCCS(=O)(=O)CCn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-(2-propylsulfonylethyl)indole-6-carbonitrile?
The InChIKey is NBCILFIKLKDHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-8-19(17,18)9-7-16-6-5-13-4-3-12(11-15)10-14(13)16/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)indole-6-carbonitrile?
1-(2-propylsulfonylethyl)indole-6-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-6-carbonitrile is sourced from PubChem (CID 107917116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).