methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate

C12H15NO4S — CID 64675959

IUPACmethyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C12H15NO4S/c1-17-11(14)7-18(15,16)10-6-8-4-2-3-5-9(8)12(10)13/h2-5,10,12H,6-7,13H2,1H3
InChIKeyHNWQHFAAZJNYFM-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.20
Rot. Bonds3

About methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate

methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate (PubChem CID 64675959) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate
PubChem CID64675959
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C12H15NO4S/c1-17-11(14)7-18(15,16)10-6-8-4-2-3-5-9(8)12(10)13/h2-5,10,12H,6-7,13H2,1H3
InChIKeyHNWQHFAAZJNYFM-UHFFFAOYSA-N
XLogP0.20
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64645809
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
CID 64676069
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate
CID 66394683
methyl 3-(2-amino-2,3-dihydro-1H-inden-1-yl)-5-methoxypentanoate
CID 68597111
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
CID 121308546

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate?
The IUPAC name of methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate (CID 64675959) is methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate.
What is the SMILES notation for methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate?
The canonical SMILES for methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate is COC(=O)CS(=O)(=O)C1Cc2ccccc2C1N.
What is the InChIKey of methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate?
The InChIKey is HNWQHFAAZJNYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-11(14)7-18(15,16)10-6-8-4-2-3-5-9(8)12(10)13/h2-5,10,12H,6-7,13H2,1H3.
What are the key properties of methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate?
methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate has a molecular weight of 269.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate is sourced from PubChem (CID 64675959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).