2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine

C15H22N2O2S — CID 106720962

IUPAC2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
SMILESCC(C)S(=O)(=O)CCn1ccc2cccc(CCN)c21
InChIInChI=1S/C15H22N2O2S/c1-12(2)20(18,19)11-10-17-9-7-14-5-3-4-13(6-8-16)15(14)17/h3-5,7,9,12H,6,8,10-11,16H2,1-2H3
InChIKeyJPTAMGNILVVEKP-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.97
Rot. Bonds6

About 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine

2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine (PubChem CID 106720962) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
PubChem CID106720962
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
SMILESCC(C)S(=O)(=O)CCn1ccc2cccc(CCN)c21
InChIInChI=1S/C15H22N2O2S/c1-12(2)20(18,19)11-10-17-9-7-14-5-3-4-13(6-8-16)15(14)17/h3-5,7,9,12H,6,8,10-11,16H2,1-2H3
InChIKeyJPTAMGNILVVEKP-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

2-(1-propylindol-7-yl)ethanamine
CID 102917066
2-[1-(2-thiophen-3-ylethyl)indol-7-yl]ethanamine
CID 102917113
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
CID 102917151
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
CID 102917143
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
CID 102940691
2-(1-methylindol-7-yl)ethanesulfonyl chloride
CID 84709242

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine?
The IUPAC name of 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine (CID 106720962) is 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine?
The canonical SMILES for 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine is CC(C)S(=O)(=O)CCn1ccc2cccc(CCN)c21.
What is the InChIKey of 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine?
The InChIKey is JPTAMGNILVVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(2)20(18,19)11-10-17-9-7-14-5-3-4-13(6-8-16)15(14)17/h3-5,7,9,12H,6,8,10-11,16H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine?
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine 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 2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine is sourced from PubChem (CID 106720962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).