2-(ethylsulfonylmethyl)-1H-indol-6-amine

C11H14N2O2S — CID 117180095

IUPAC2-(ethylsulfonylmethyl)-1H-indol-6-amine
SMILESCCS(=O)(=O)Cc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H14N2O2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7,12H2,1H3
InChIKeyBGNQLHOQTNCADC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.68
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1H-indol-6-amine

2-(ethylsulfonylmethyl)-1H-indol-6-amine (PubChem CID 117180095) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1H-indol-6-amine.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1H-indol-6-amine
PubChem CID117180095
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(ethylsulfonylmethyl)-1H-indol-6-amine
SMILESCCS(=O)(=O)Cc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H14N2O2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7,12H2,1H3
InChIKeyBGNQLHOQTNCADC-UHFFFAOYSA-N
XLogP1.68
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(ethylsulfonylmethyl)-1H-indole
CID 117180107
2-butyl-1H-indol-6-amine
CID 119094791
6-tert-butyl-2-(methylsulfonylmethyl)-1H-indole
CID 58209228
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
1H-indol-2-ylmethanesulfonamide
CID 54351083
2-(2-fluoropropan-2-yl)-1H-indol-6-amine
CID 84664033
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004
2-(1,1-difluoroethyl)-1H-indol-6-amine
CID 84666688
(6-amino-1H-indol-2-yl) acetate
CID 174672412
1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
CID 83919825
(6-methyl-1H-indol-2-yl)methanamine
CID 82502768
2-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1H-indol-6-amine?
The IUPAC name of 2-(ethylsulfonylmethyl)-1H-indol-6-amine (CID 117180095) is 2-(ethylsulfonylmethyl)-1H-indol-6-amine.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1H-indol-6-amine?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1H-indol-6-amine is CCS(=O)(=O)Cc1cc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1H-indol-6-amine?
The InChIKey is BGNQLHOQTNCADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7,12H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1H-indol-6-amine?
2-(ethylsulfonylmethyl)-1H-indol-6-amine has a molecular weight of 238.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1H-indol-6-amine is sourced from PubChem (CID 117180095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).