(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

C19H23NO2S — CID 95149953

IUPAC(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23NO2S/c1-20(19-13-12-16-8-5-6-11-18(16)19)14-7-15-23(21,22)17-9-3-2-4-10-17/h2-6,8-11,19H,7,12-15H2,1H3/t19-/m1/s1
InChIKeyWUNVXCGQMHJCHH-LJQANCHMSA-N
MW329.46 g/mol
LogP3.47
Rot. Bonds6

About (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 95149953) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID95149953
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23NO2S/c1-20(19-13-12-16-8-5-6-11-18(16)19)14-7-15-23(21,22)17-9-3-2-4-10-17/h2-6,8-11,19H,7,12-15H2,1H3/t19-/m1/s1
InChIKeyWUNVXCGQMHJCHH-LJQANCHMSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 8552375
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
CID 30344627
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 95149953) is (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CN(CCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WUNVXCGQMHJCHH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-20(19-13-12-16-8-5-6-11-18(16)19)14-7-15-23(21,22)17-9-3-2-4-10-17/h2-6,8-11,19H,7,12-15H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 329.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 95149953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).