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

C17H18N2O2S — CID 137422519

IUPACtrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-16-11-15(16)12-6-7-17-13(10-12)8-9-19(17)22(20,21)14-4-2-1-3-5-14/h1-7,10,15-16H,8-9,11,18H2/t15-,16+/m0/s1
InChIKeyLAHXLAOPPUKCMA-JKSUJKDBSA-N
MW314.41 g/mol
LogP2.25
Rot. Bonds3

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

trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine (PubChem CID 137422519) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
PubChem CID137422519
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Nametrans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-16-11-15(16)12-6-7-17-13(10-12)8-9-19(17)22(20,21)14-4-2-1-3-5-14/h1-7,10,15-16H,8-9,11,18H2/t15-,16+/m0/s1
InChIKeyLAHXLAOPPUKCMA-JKSUJKDBSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
CID 159132261
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
CID 138734639
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888
N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
CID 138734685
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
benzyl 4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453631
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine (CID 137422519) is trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine?
The InChIKey is LAHXLAOPPUKCMA-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O2S/c18-16-11-15(16)12-6-7-17-13(10-12)8-9-19(17)22(20,21)14-4-2-1-3-5-14/h1-7,10,15-16H,8-9,11,18H2/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine?
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine has a molecular weight of 314.41 g/mol, XLogP of 2.25, 3 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]cyclopropan-1-amine is sourced from PubChem (CID 137422519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).