5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole

C17H24N2O2S — CID 22873790

IUPAC5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
SMILESCCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C17H24N2O2S/c1-2-22(20,21)9-7-13-5-6-17-16(10-13)14(12-19-17)11-15-4-3-8-18-15/h5-6,10,12,15,18-19H,2-4,7-9,11H2,1H3/t15-/m1/s1
InChIKeyDCJLLXQAOAAWJD-OAHLLOKOSA-N
MW320.46 g/mol
LogP2.44
Rot. Bonds6

About 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole

5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 22873790) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID22873790
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
SMILESCCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C17H24N2O2S/c1-2-22(20,21)9-7-13-5-6-17-16(10-13)14(12-19-17)11-15-4-3-8-18-15/h5-6,10,12,15,18-19H,2-4,7-9,11H2,1H3/t15-/m1/s1
InChIKeyDCJLLXQAOAAWJD-OAHLLOKOSA-N
XLogP2.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
3-[[(2R)-1-[2-(benzenesulfinyl)ethyl]pyrrolidin-2-yl]methyl]-5-(2-ethylsulfonylethyl)-1H-indole
CID 22873797
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
CID 139716609
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole;bromide;hydrate
CID 139060541
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
CID 19702143
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole (CID 22873790) is 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole is CCS(=O)(=O)CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1.
What is the InChIKey of 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is DCJLLXQAOAAWJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-22(20,21)9-7-13-5-6-17-16(10-13)14(12-19-17)11-15-4-3-8-18-15/h5-6,10,12,15,18-19H,2-4,7-9,11H2,1H3/t15-/m1/s1.
What are the key properties of 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 320.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 22873790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).