1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole

C16H17NOS — CID 42962003

IUPAC1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole
SMILESO=S(CCN1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-19(15-7-2-1-3-8-15)13-12-17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2
InChIKeyICUKRPLVUHITCB-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole

1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole (PubChem CID 42962003) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole
PubChem CID42962003
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole
SMILESO=S(CCN1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-19(15-7-2-1-3-8-15)13-12-17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2
InChIKeyICUKRPLVUHITCB-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-butyl-2,3-dihydroindole
CID 4167209
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole (CID 42962003) is 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole is O=S(CCN1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole?
The InChIKey is ICUKRPLVUHITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-19(15-7-2-1-3-8-15)13-12-17-11-10-14-6-4-5-9-16(14)17/h1-9H,10-13H2.
What are the key properties of 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole?
1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole has a molecular weight of 271.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole is sourced from PubChem (CID 42962003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).