N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine

C14H20N2O2S — CID 83985061

IUPACN-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
SMILESCNCCCc1cn(C)c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C14H20N2O2S/c1-15-8-4-5-11-10-16(2)14-7-6-12(9-13(11)14)19(3,17)18/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyJLWHIQRKABRHQI-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine

N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine (PubChem CID 83985061) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
PubChem CID83985061
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
SMILESCNCCCc1cn(C)c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C14H20N2O2S/c1-15-8-4-5-11-10-16(2)14-7-6-12(9-13(11)14)19(3,17)18/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyJLWHIQRKABRHQI-UHFFFAOYSA-N
XLogP1.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine (CID 83985061) is N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine is CNCCCc1cn(C)c2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine?
The InChIKey is JLWHIQRKABRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-8-4-5-11-10-16(2)14-7-6-12(9-13(11)14)19(3,17)18/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine?
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83985061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).