N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C15H22N2O3S — CID 43522982

IUPACN-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c18-21(19)12-14(13-4-1-2-5-15(13)21)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,14,16H,3,6-12H2
InChIKeyIFRJRPDGJHANTQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.83
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522982) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522982
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c18-21(19)12-14(13-4-1-2-5-15(13)21)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,14,16H,3,6-12H2
InChIKeyIFRJRPDGJHANTQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43522871
N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43769539
(3S)-3-morpholin-4-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 744322
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
N-[2-(2-fluorophenyl)ethyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522927
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 62990229
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461715
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)oxolan-3-amine
CID 80713583
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522982) is N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is IFRJRPDGJHANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19)12-14(13-4-1-2-5-15(13)21)16-6-3-7-17-8-10-20-11-9-17/h1-2,4-5,14,16H,3,6-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 310.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).