3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole

C17H21N3O3S — CID 71859854

IUPAC3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(CN2CC3(CCCC3)c3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)11-15-18-16(23-19-15)10-20-12-17(8-4-5-9-17)13-6-2-3-7-14(13)20/h2-3,6-7H,4-5,8-12H2,1H3
InChIKeyLUBXIFZJOVZEPZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.45
Rot. Bonds4

About 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole

3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 71859854) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID71859854
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(CN2CC3(CCCC3)c3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)11-15-18-16(23-19-15)10-20-12-17(8-4-5-9-17)13-6-2-3-7-14(13)20/h2-3,6-7H,4-5,8-12H2,1H3
InChIKeyLUBXIFZJOVZEPZ-UHFFFAOYSA-N
XLogP2.45
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole (CID 71859854) is 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole is CS(=O)(=O)Cc1noc(CN2CC3(CCCC3)c3ccccc32)n1.
What is the InChIKey of 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LUBXIFZJOVZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(21,22)11-15-18-16(23-19-15)10-20-12-17(8-4-5-9-17)13-6-2-3-7-14(13)20/h2-3,6-7H,4-5,8-12H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole?
3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 347.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-5-(spiro[2H-indole-3,1'-cyclopentane]-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71859854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).