2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide

C9H18N2O5S — CID 82723055

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H18N2O5S/c1-15-3-4-16-11-9(12)6-8-7-17(13,14)5-2-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyIHJRQIUWPDXGCL-UHFFFAOYSA-N
MW266.32 g/mol
LogP-1.54
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide (PubChem CID 82723055) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
PubChem CID82723055
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H18N2O5S/c1-15-3-4-16-11-9(12)6-8-7-17(13,14)5-2-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyIHJRQIUWPDXGCL-UHFFFAOYSA-N
XLogP-1.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide 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

methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127
pentyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518817
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide (CID 82723055) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide?
The InChIKey is IHJRQIUWPDXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-15-3-4-16-11-9(12)6-8-7-17(13,14)5-2-10-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide has a molecular weight of 266.32 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 82723055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).