4-ethylsulfonyl-1-methylindol-6-amine

C11H14N2O2S — CID 54857290

IUPAC4-ethylsulfonyl-1-methylindol-6-amine
SMILESCCS(=O)(=O)c1cc(N)cc2c1ccn2C
InChIInChI=1S/C11H14N2O2S/c1-3-16(14,15)11-7-8(12)6-10-9(11)4-5-13(10)2/h4-7H,3,12H2,1-2H3
InChIKeyXNQDHKAHXAYDEV-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds2

About 4-ethylsulfonyl-1-methylindol-6-amine

4-ethylsulfonyl-1-methylindol-6-amine (PubChem CID 54857290) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-methylindol-6-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-methylindol-6-amine
PubChem CID54857290
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-ethylsulfonyl-1-methylindol-6-amine
SMILESCCS(=O)(=O)c1cc(N)cc2c1ccn2C
InChIInChI=1S/C11H14N2O2S/c1-3-16(14,15)11-7-8(12)6-10-9(11)4-5-13(10)2/h4-7H,3,12H2,1-2H3
InChIKeyXNQDHKAHXAYDEV-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-methylindol-6-amine?
The IUPAC name of 4-ethylsulfonyl-1-methylindol-6-amine (CID 54857290) is 4-ethylsulfonyl-1-methylindol-6-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-methylindol-6-amine?
The canonical SMILES for 4-ethylsulfonyl-1-methylindol-6-amine is CCS(=O)(=O)c1cc(N)cc2c1ccn2C.
What is the InChIKey of 4-ethylsulfonyl-1-methylindol-6-amine?
The InChIKey is XNQDHKAHXAYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-16(14,15)11-7-8(12)6-10-9(11)4-5-13(10)2/h4-7H,3,12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-methylindol-6-amine?
4-ethylsulfonyl-1-methylindol-6-amine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-methylindol-6-amine is sourced from PubChem (CID 54857290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).