N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline

C18H20F3N3OS — CID 176928043

IUPACN-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline
SMILESCC(CNS(=O)Nc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H20F3N3OS/c1-13(24-11-10-14-4-2-3-5-17(14)24)12-22-26(25)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,13,22-23H,10-12H2,1H3
InChIKeyJESWFJGQZHVGQW-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline

N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline (PubChem CID 176928043) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline
PubChem CID176928043
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline
SMILESCC(CNS(=O)Nc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H20F3N3OS/c1-13(24-11-10-14-4-2-3-5-17(14)24)12-22-26(25)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,13,22-23H,10-12H2,1H3
InChIKeyJESWFJGQZHVGQW-UHFFFAOYSA-N
XLogP3.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471898
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
CID 62557981
4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32810633
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 18577693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline (CID 176928043) is N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline is CC(CNS(=O)Nc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline?
The InChIKey is JESWFJGQZHVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c1-13(24-11-10-14-4-2-3-5-17(14)24)12-22-26(25)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,13,22-23H,10-12H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline?
N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline has a molecular weight of 383.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 176928043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).