N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide

C23H30N2O2S — CID 56656099

IUPACN-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H30N2O2S/c1-24-15-21-13-20-10-9-19(14-25-28(26,27)16-18-7-8-18)12-22(20)23(21)11-17-5-3-2-4-6-17/h2-6,9-10,12,18,21,23-25H,7-8,11,13-16H2,1H3
InChIKeyJGGOWNJZGNAZEW-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.23
Rot. Bonds9

About N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide

N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 56656099) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
PubChem CID56656099
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H30N2O2S/c1-24-15-21-13-20-10-9-19(14-25-28(26,27)16-18-7-8-18)12-22(20)23(21)11-17-5-3-2-4-6-17/h2-6,9-10,12,18,21,23-25H,7-8,11,13-16H2,1H3
InChIKeyJGGOWNJZGNAZEW-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide (CID 56656099) is N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide is CNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is JGGOWNJZGNAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-24-15-21-13-20-10-9-19(14-25-28(26,27)16-18-7-8-18)12-22(20)23(21)11-17-5-3-2-4-6-17/h2-6,9-10,12,18,21,23-25H,7-8,11,13-16H2,1H3.
What are the key properties of N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide?
N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 398.57 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 56656099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).