N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine

C19H23NO2S — CID 50957880

IUPACN-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(NC1Cc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO2S/c1-3-19(14-8-10-18(11-9-14)23(2,21)22)20-17-12-15-6-4-5-7-16(15)13-17/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeyYZXYUNPVOBYOLZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.30
Rot. Bonds5

About N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine

N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 50957880) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID50957880
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(NC1Cc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO2S/c1-3-19(14-8-10-18(11-9-14)23(2,21)22)20-17-12-15-6-4-5-7-16(15)13-17/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeyYZXYUNPVOBYOLZ-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine (CID 50957880) is N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine is CCC(NC1Cc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YZXYUNPVOBYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-19(14-8-10-18(11-9-14)23(2,21)22)20-17-12-15-6-4-5-7-16(15)13-17/h4-11,17,19-20H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 50957880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).