N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine

C13H19NO2S — CID 55031640

IUPACN-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1CCS(C)(=O)=O
InChIInChI=1S/C13H19NO2S/c1-14-13-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDORUEHLZTTWKKO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 55031640) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID55031640
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1CCS(C)(=O)=O
InChIInChI=1S/C13H19NO2S/c1-14-13-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDORUEHLZTTWKKO-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[3-(2-methoxyethoxy)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
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CID 103684497
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
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1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylsulfonylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine (CID 55031640) is N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1CCS(C)(=O)=O.
What is the InChIKey of N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DORUEHLZTTWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14-13-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55031640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).