1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine

C13H20N2O2S — CID 106725995

IUPAC1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
SMILESCCCS(=O)(=O)CCN1CCc2c(N)cccc21
InChIInChI=1S/C13H20N2O2S/c1-2-9-18(16,17)10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10,14H2,1H3
InChIKeyAXWIVNORDCOHGP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine

1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine (PubChem CID 106725995) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
PubChem CID106725995
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
SMILESCCCS(=O)(=O)CCN1CCc2c(N)cccc21
InChIInChI=1S/C13H20N2O2S/c1-2-9-18(16,17)10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10,14H2,1H3
InChIKeyAXWIVNORDCOHGP-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
CID 106724738
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-(2-propylsulfonylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815443
1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine
CID 114279059
7-amino-2-(2-propylsulfonylethyl)-3,4-dihydroisoquinolin-1-one
CID 106724731
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
CID 114930494
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine?
The IUPAC name of 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine (CID 106725995) is 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine is CCCS(=O)(=O)CCN1CCc2c(N)cccc21.
What is the InChIKey of 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine?
The InChIKey is AXWIVNORDCOHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-9-18(16,17)10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10,14H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine?
1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine has a molecular weight of 268.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine is sourced from PubChem (CID 106725995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).