1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole

C13H18N2O2S — CID 115049579

IUPAC1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(CCC1CNC1)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O2S/c16-18(17,8-6-11-9-14-10-11)15-7-5-12-3-1-2-4-13(12)15/h1-4,11,14H,5-10H2
InChIKeyLXRXUZNZNHQQNU-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.99
Rot. Bonds4

About 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole

1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole (PubChem CID 115049579) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
PubChem CID115049579
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(CCC1CNC1)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O2S/c16-18(17,8-6-11-9-14-10-11)15-7-5-12-3-1-2-4-13(12)15/h1-4,11,14H,5-10H2
InChIKeyLXRXUZNZNHQQNU-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 115049583
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
CID 56764845
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
CID 22058070
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111083281
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109444231
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
1-(cyclopropylmethylsulfonyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 64989312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole (CID 115049579) is 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole is O=S(=O)(CCC1CNC1)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole?
The InChIKey is LXRXUZNZNHQQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,8-6-11-9-14-10-11)15-7-5-12-3-1-2-4-13(12)15/h1-4,11,14H,5-10H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole?
1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole has a molecular weight of 266.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 115049579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).