6-methylsulfonyl-1H-indol-7-amine

C9H10N2O2S — CID 11506723

IUPAC6-methylsulfonyl-1H-indol-7-amine
SMILESCS(=O)(=O)c1ccc2cc[nH]c2c1N
InChIInChI=1S/C9H10N2O2S/c1-14(12,13)7-3-2-6-4-5-11-9(6)8(7)10/h2-5,11H,10H2,1H3
InChIKeyVTSJLSZRBRRKOH-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.15
Rot. Bonds1

About 6-methylsulfonyl-1H-indol-7-amine

6-methylsulfonyl-1H-indol-7-amine (PubChem CID 11506723) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-methylsulfonyl-1H-indol-7-amine.

Molecular Properties

Compound Name6-methylsulfonyl-1H-indol-7-amine
PubChem CID11506723
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name6-methylsulfonyl-1H-indol-7-amine
SMILESCS(=O)(=O)c1ccc2cc[nH]c2c1N
InChIInChI=1S/C9H10N2O2S/c1-14(12,13)7-3-2-6-4-5-11-9(6)8(7)10/h2-5,11H,10H2,1H3
InChIKeyVTSJLSZRBRRKOH-UHFFFAOYSA-N
XLogP1.15
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1H-indol-7-amine?
The IUPAC name of 6-methylsulfonyl-1H-indol-7-amine (CID 11506723) is 6-methylsulfonyl-1H-indol-7-amine.
What is the SMILES notation for 6-methylsulfonyl-1H-indol-7-amine?
The canonical SMILES for 6-methylsulfonyl-1H-indol-7-amine is CS(=O)(=O)c1ccc2cc[nH]c2c1N.
What is the InChIKey of 6-methylsulfonyl-1H-indol-7-amine?
The InChIKey is VTSJLSZRBRRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-14(12,13)7-3-2-6-4-5-11-9(6)8(7)10/h2-5,11H,10H2,1H3.
What are the key properties of 6-methylsulfonyl-1H-indol-7-amine?
6-methylsulfonyl-1H-indol-7-amine has a molecular weight of 210.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1H-indol-7-amine is sourced from PubChem (CID 11506723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).