1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine

C15H22N2O2S — CID 102917550

IUPAC1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C15H22N2O2S/c1-3-20(18,19)9-8-17-7-6-14-11-13(10-12(2)16)4-5-15(14)17/h4-7,11-12H,3,8-10,16H2,1-2H3
InChIKeyWBMARCGTRGAFKS-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.97
Rot. Bonds6

About 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine

1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine (PubChem CID 102917550) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
PubChem CID102917550
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C15H22N2O2S/c1-3-20(18,19)9-8-17-7-6-14-11-13(10-12(2)16)4-5-15(14)17/h4-7,11-12H,3,8-10,16H2,1-2H3
InChIKeyWBMARCGTRGAFKS-UHFFFAOYSA-N
XLogP1.97
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604
N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
CID 102916820
5-bromo-1-(2-propylsulfonylethyl)indole
CID 106731628
1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
CID 102917612
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
1-(2-propylsulfonylethyl)indole-5-carbothioamide
CID 107920480
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine (CID 102917550) is 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine is CCS(=O)(=O)CCn1ccc2cc(CC(C)N)ccc21.
What is the InChIKey of 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine?
The InChIKey is WBMARCGTRGAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-20(18,19)9-8-17-7-6-14-11-13(10-12(2)16)4-5-15(14)17/h4-7,11-12H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine?
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine is sourced from PubChem (CID 102917550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).