N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C15H19N3O5S — CID 119618971

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESNc1cc2c(cc1NC(=O)CSCC(=O)N1CCOCC1)OCO2
InChIInChI=1S/C15H19N3O5S/c16-10-5-12-13(23-9-22-12)6-11(10)17-14(19)7-24-8-15(20)18-1-3-21-4-2-18/h5-6H,1-4,7-9,16H2,(H,17,19)
InChIKeyUOOMMXHYWYTSDG-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.53
Rot. Bonds5

About N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 119618971) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID119618971
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESNc1cc2c(cc1NC(=O)CSCC(=O)N1CCOCC1)OCO2
InChIInChI=1S/C15H19N3O5S/c16-10-5-12-13(23-9-22-12)6-11(10)17-14(19)7-24-8-15(20)18-1-3-21-4-2-18/h5-6H,1-4,7-9,16H2,(H,17,19)
InChIKeyUOOMMXHYWYTSDG-UHFFFAOYSA-N
XLogP0.53
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide 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-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391
N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119440673
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55368463
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119618986
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
CID 119618728
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119619025
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)propanamide
CID 119618243
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)propanamide
CID 119618103
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 119618971) is N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is Nc1cc2c(cc1NC(=O)CSCC(=O)N1CCOCC1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is UOOMMXHYWYTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c16-10-5-12-13(23-9-22-12)6-11(10)17-14(19)7-24-8-15(20)18-1-3-21-4-2-18/h5-6H,1-4,7-9,16H2,(H,17,19).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 353.40 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 119618971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).