1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine

C15H24N2O2S — CID 106726004

IUPAC1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCS(=O)(=O)C(C)(C)C)CC2
InChIInChI=1S/C15H24N2O2S/c1-11-9-12-5-6-17(14(12)10-13(11)16)7-8-20(18,19)15(2,3)4/h9-10H,5-8,16H2,1-4H3
InChIKeyITJNMEJZZUJSNC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine

1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 106726004) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine
PubChem CID106726004
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCS(=O)(=O)C(C)(C)C)CC2
InChIInChI=1S/C15H24N2O2S/c1-11-9-12-5-6-17(14(12)10-13(11)16)7-8-20(18,19)15(2,3)4/h9-10H,5-8,16H2,1-4H3
InChIKeyITJNMEJZZUJSNC-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine (CID 106726004) is 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(CCS(=O)(=O)C(C)(C)C)CC2.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is ITJNMEJZZUJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-9-12-5-6-17(14(12)10-13(11)16)7-8-20(18,19)15(2,3)4/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine?
1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 296.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 106726004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).