N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine

C17H21N3O3S — CID 71986989

IUPACN-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)Cc1noc(CN(C2CC2)C2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)11-16-18-17(23-19-16)10-20(13-7-8-13)15-9-6-12-4-2-3-5-14(12)15/h2-5,13,15H,6-11H2,1H3
InChIKeyJYAHHXCIPYPOAK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine

N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 71986989) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID71986989
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)Cc1noc(CN(C2CC2)C2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)11-16-18-17(23-19-16)10-20(13-7-8-13)15-9-6-12-4-2-3-5-14(12)15/h2-5,13,15H,6-11H2,1H3
InChIKeyJYAHHXCIPYPOAK-UHFFFAOYSA-N
XLogP2.27
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 71986989) is N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)Cc1noc(CN(C2CC2)C2CCc3ccccc32)n1.
What is the InChIKey of N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JYAHHXCIPYPOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(21,22)11-16-18-17(23-19-16)10-20(13-7-8-13)15-9-6-12-4-2-3-5-14(12)15/h2-5,13,15H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 347.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 71986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).