2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C12H17NO2S — CID 79368756

IUPAC2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C12H17NO2S/c1-3-16(14)11-6-8-4-5-9(15-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3
InChIKeyMNCJETMKMZXEHN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.39
Rot. Bonds3

About 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79368756) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79368756
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C12H17NO2S/c1-3-16(14)11-6-8-4-5-9(15-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3
InChIKeyMNCJETMKMZXEHN-UHFFFAOYSA-N
XLogP1.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369081
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 107758435
6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79369092
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64652727
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82695753

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79368756) is 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCS(=O)C1Cc2ccc(OC)cc2C1N.
What is the InChIKey of 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MNCJETMKMZXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-16(14)11-6-8-4-5-9(15-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 239.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79368756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).