[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine

C15H22N2O2S — CID 106731902

IUPAC[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
SMILESCCS(=O)(=O)CCn1c(C)c(C)c2cc(CN)ccc21
InChIInChI=1S/C15H22N2O2S/c1-4-20(18,19)8-7-17-12(3)11(2)14-9-13(10-16)5-6-15(14)17/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyOLKVRDODFNHDJL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.15
Rot. Bonds5

About [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine

[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine (PubChem CID 106731902) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
PubChem CID106731902
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
SMILESCCS(=O)(=O)CCn1c(C)c(C)c2cc(CN)ccc21
InChIInChI=1S/C15H22N2O2S/c1-4-20(18,19)8-7-17-12(3)11(2)14-9-13(10-16)5-6-15(14)17/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyOLKVRDODFNHDJL-UHFFFAOYSA-N
XLogP2.15
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine
CID 66038552
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
CID 117177027
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
CID 114476978
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
CID 115943540
4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
CID 143599776

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine (CID 106731902) is [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine is CCS(=O)(=O)CCn1c(C)c(C)c2cc(CN)ccc21.
What is the InChIKey of [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine?
The InChIKey is OLKVRDODFNHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-20(18,19)8-7-17-12(3)11(2)14-9-13(10-16)5-6-15(14)17/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine?
[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine is sourced from PubChem (CID 106731902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).