1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine

C12H15NO2S — CID 79879919

IUPAC1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine
SMILESCS(=O)(=O)CC=C1CCc2cc(N)ccc21
InChIInChI=1S/C12H15NO2S/c1-16(14,15)7-6-9-2-3-10-8-11(13)4-5-12(9)10/h4-6,8H,2-3,7,13H2,1H3
InChIKeyWTHMTGKTEXMQQJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.64
Rot. Bonds2

About 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine

1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine (PubChem CID 79879919) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine
PubChem CID79879919
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine
SMILESCS(=O)(=O)CC=C1CCc2cc(N)ccc21
InChIInChI=1S/C12H15NO2S/c1-16(14,15)7-6-9-2-3-10-8-11(13)4-5-12(9)10/h4-6,8H,2-3,7,13H2,1H3
InChIKeyWTHMTGKTEXMQQJ-UHFFFAOYSA-N
XLogP1.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine?
The IUPAC name of 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine (CID 79879919) is 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine is CS(=O)(=O)CC=C1CCc2cc(N)ccc21.
What is the InChIKey of 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine?
The InChIKey is WTHMTGKTEXMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-16(14,15)7-6-9-2-3-10-8-11(13)4-5-12(9)10/h4-6,8H,2-3,7,13H2,1H3.
What are the key properties of 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine?
1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine has a molecular weight of 237.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylidene)-2,3-dihydroinden-5-amine is sourced from PubChem (CID 79879919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).