3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole

C20H24N2S — CID 10403999

IUPAC3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole
SMILESCC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3
InChIKeyGRSKIEPWQOSYKY-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.31
Rot. Bonds4

About 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole

3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole (PubChem CID 10403999) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole
PubChem CID10403999
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole
SMILESCC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3
InChIKeyGRSKIEPWQOSYKY-UHFFFAOYSA-N
XLogP5.31
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 77993
Almotriptan
CID 123606
Camalexin
CID 636970
Eletriptan Hydrobromide
CID 656631
N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
CID 132552
5-(3-butylpyrrolidin-3-yl)-1H-indole
CID 25224941
N,N-Dimethyl-5-(methylthio)-1H-indole-3-ethanamine
CID 21180
Propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 10382523
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 156850
Tiomergine
CID 9884658
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole?
The IUPAC name of 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole (CID 10403999) is 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole is CC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12.
What is the InChIKey of 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole?
The InChIKey is GRSKIEPWQOSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole?
3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole has a molecular weight of 324.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-5-thiophen-2-yl-1H-indole is sourced from PubChem (CID 10403999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).