N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine

C14H21NO4S — CID 63056655

IUPACN-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-18-8-7-15-10-12-4-2-3-5-14(12)19-13-6-9-20(16,17)11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyGSUFZVIAVHXZEL-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.99
Rot. Bonds7

About N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine

N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 63056655) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine
PubChem CID63056655
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-18-8-7-15-10-12-4-2-3-5-14(12)19-13-6-9-20(16,17)11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyGSUFZVIAVHXZEL-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine 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-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methylpropan-1-amine
CID 63056818
N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64738550
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
1-[2-(1,1-dioxothietan-3-yl)oxyphenyl]-N-methoxymethanamine
CID 117396419
N-[[2-(1,1-dioxothiolan-3-yl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 61269645
N-[[3-bromo-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-1-amine
CID 61390576
3-naphthalen-1-yloxythiolane 1,1-dioxide
CID 62113334
N-[[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440486
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
1-[2-(1,1-dioxothiolan-3-yl)oxy-5-methylphenyl]-N-methylmethanamine
CID 63322568
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine (CID 63056655) is N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1OC1CCS(=O)(=O)C1.
What is the InChIKey of N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is GSUFZVIAVHXZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-8-7-15-10-12-4-2-3-5-14(12)19-13-6-9-20(16,17)11-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine?
N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 299.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).