[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine

C14H20N2O2S — CID 117177027

IUPAC[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
SMILESCCn1c(CS(=O)(=O)CC)cc2cc(CN)ccc21
InChIInChI=1S/C14H20N2O2S/c1-3-16-13(10-19(17,18)4-2)8-12-7-11(9-15)5-6-14(12)16/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyKPSVASLXGNTZQG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.05
Rot. Bonds5

About [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine

[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine (PubChem CID 117177027) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
PubChem CID117177027
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
SMILESCCn1c(CS(=O)(=O)CC)cc2cc(CN)ccc21
InChIInChI=1S/C14H20N2O2S/c1-3-16-13(10-19(17,18)4-2)8-12-7-11(9-15)5-6-14(12)16/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyKPSVASLXGNTZQG-UHFFFAOYSA-N
XLogP2.05
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-1-ethylindol-2-yl]methanol
CID 117177076
1-ethyl-2-(ethylsulfonylmethyl)indole-5-carboxylic acid
CID 117177444
[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117177024
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
1-ethyl-2-(methylsulfonylmethyl)indol-5-ol
CID 117177179
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
5-chloro-2-(ethylsulfonylmethyl)-1-methylindole
CID 117176679
6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
CID 65038062
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
CID 106731902

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine (CID 117177027) is [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine is CCn1c(CS(=O)(=O)CC)cc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?
The InChIKey is KPSVASLXGNTZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16-13(10-19(17,18)4-2)8-12-7-11(9-15)5-6-14(12)16/h5-8H,3-4,9-10,15H2,1-2H3.
What are the key properties of [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine?
[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine is sourced from PubChem (CID 117177027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).