2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid

C12H15NO4S — CID 43084240

IUPAC2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO4S/c1-13(8-12(14)15)18(16,17)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyXVXOFPHBFONDJP-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.88
Rot. Bonds4

About 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid

2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid (PubChem CID 43084240) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
PubChem CID43084240
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO4S/c1-13(8-12(14)15)18(16,17)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyXVXOFPHBFONDJP-UHFFFAOYSA-N
XLogP0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196
N-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120718201
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681428
2-[benzenesulfonyl(methyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133186045

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid (CID 43084240) is 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid?
The InChIKey is XVXOFPHBFONDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-13(8-12(14)15)18(16,17)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid?
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid has a molecular weight of 269.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid is sourced from PubChem (CID 43084240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).