trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine

C25H26N2O2S — CID 138734639

IUPACtrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
SMILESCC(N[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-18(19-8-4-2-5-9-19)26-24-17-23(24)20-12-13-25-21(16-20)14-15-27(25)30(28,29)22-10-6-3-7-11-22/h2-13,16,18,23-24,26H,14-15,17H2,1H3/t18?,23-,24+/m0/s1
InChIKeyTYYQSKAZFOHJNW-GRAGEBPMSA-N
MW418.56 g/mol
LogP4.64
Rot. Bonds6

About trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine

trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine (PubChem CID 138734639) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
PubChem CID138734639
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Nametrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
SMILESCC(N[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-18(19-8-4-2-5-9-19)26-24-17-23(24)20-12-13-25-21(16-20)14-15-27(25)30(28,29)22-10-6-3-7-11-22/h2-13,16,18,23-24,26H,14-15,17H2,1H3/t18?,23-,24+/m0/s1
InChIKeyTYYQSKAZFOHJNW-GRAGEBPMSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
CID 159132261
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
benzyl 4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453631
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
CID 138734685
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine (CID 138734639) is trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine is CC(N[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine?
The InChIKey is TYYQSKAZFOHJNW-GRAGEBPMSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-18(19-8-4-2-5-9-19)26-24-17-23(24)20-12-13-25-21(16-20)14-15-27(25)30(28,29)22-10-6-3-7-11-22/h2-13,16,18,23-24,26H,14-15,17H2,1H3/t18?,23-,24+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine?
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine has a molecular weight of 418.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine is sourced from PubChem (CID 138734639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).