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

C12H17NO3S — CID 79374666

IUPAC2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)11-6-8-4-5-9(16-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3
InChIKeyFASZJTYVADXBAF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.05
Rot. Bonds3

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

2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79374666) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79374666
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)11-6-8-4-5-9(16-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3
InChIKeyFASZJTYVADXBAF-UHFFFAOYSA-N
XLogP1.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 79369074
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
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-N-cyclopropyl-6-methoxy-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79374817
6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 82947826

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79374666) is 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCS(=O)(=O)C1Cc2ccc(OC)cc2C1N.
What is the InChIKey of 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FASZJTYVADXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-17(14,15)11-6-8-4-5-9(16-2)7-10(8)12(11)13/h4-5,7,11-12H,3,6,13H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79374666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).