[1-(2-propylsulfonylethyl)indol-3-yl]methanamine

C14H20N2O2S — CID 106717671

IUPAC[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C14H20N2O2S/c1-2-8-19(17,18)9-7-16-11-12(10-15)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10,15H2,1H3
InChIKeyUDACNOOAJLJDJJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.92
Rot. Bonds6

About [1-(2-propylsulfonylethyl)indol-3-yl]methanamine

[1-(2-propylsulfonylethyl)indol-3-yl]methanamine (PubChem CID 106717671) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-(2-propylsulfonylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
PubChem CID106717671
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C14H20N2O2S/c1-2-8-19(17,18)9-7-16-11-12(10-15)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10,15H2,1H3
InChIKeyUDACNOOAJLJDJJ-UHFFFAOYSA-N
XLogP1.92
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
CID 106717670
1-[1-(2-ethylsulfonylethyl)indol-3-yl]propan-2-amine
CID 66406061
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
CID 106717189
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424

Frequently Asked Questions

What is the IUPAC name of [1-(2-propylsulfonylethyl)indol-3-yl]methanamine?
The IUPAC name of [1-(2-propylsulfonylethyl)indol-3-yl]methanamine (CID 106717671) is [1-(2-propylsulfonylethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(2-propylsulfonylethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(2-propylsulfonylethyl)indol-3-yl]methanamine is CCCS(=O)(=O)CCn1cc(CN)c2ccccc21.
What is the InChIKey of [1-(2-propylsulfonylethyl)indol-3-yl]methanamine?
The InChIKey is UDACNOOAJLJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-8-19(17,18)9-7-16-11-12(10-15)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10,15H2,1H3.
What are the key properties of [1-(2-propylsulfonylethyl)indol-3-yl]methanamine?
[1-(2-propylsulfonylethyl)indol-3-yl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propylsulfonylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 106717671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).