2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine

C12H17NO4S2 — CID 64645809

IUPAC2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)CCS(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C12H17NO4S2/c1-18(14,15)6-7-19(16,17)11-8-9-4-2-3-5-10(9)12(11)13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyMYMYMCYGIQSTTQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.07
Rot. Bonds4

About 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine

2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 64645809) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID64645809
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)CCS(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C12H17NO4S2/c1-18(14,15)6-7-19(16,17)11-8-9-4-2-3-5-10(9)12(11)13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyMYMYMCYGIQSTTQ-UHFFFAOYSA-N
XLogP0.07
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine (CID 64645809) is 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)CCS(=O)(=O)C1Cc2ccccc2C1N.
What is the InChIKey of 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MYMYMCYGIQSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-18(14,15)6-7-19(16,17)11-8-9-4-2-3-5-10(9)12(11)13/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64645809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).