N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine

C13H19NO2S — CID 64629774

IUPACN-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(CS(C)(=O)=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19NO2S/c1-10(9-17(2,15)16)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDFPYEKNBTNDNEA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.18
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine

N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 64629774) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
PubChem CID64629774
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(CS(C)(=O)=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19NO2S/c1-10(9-17(2,15)16)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDFPYEKNBTNDNEA-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine (CID 64629774) is N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine is CC(CS(C)(=O)=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DFPYEKNBTNDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(9-17(2,15)16)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 64629774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).