methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate

C9H16N2O5S — CID 80520066

IUPACmethyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H16N2O5S/c1-16-9(13)5-11-8(12)4-7-6-17(14,15)3-2-10-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyQJRZMNPLYAQFMI-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.95
Rot. Bonds4

About methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate

methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate (PubChem CID 80520066) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
PubChem CID80520066
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Namemethyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H16N2O5S/c1-16-9(13)5-11-8(12)4-7-6-17(14,15)3-2-10-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyQJRZMNPLYAQFMI-UHFFFAOYSA-N
XLogP-1.95
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate 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-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
CID 82723055
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520759
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
CID 80516106
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520771
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate (CID 80520066) is methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate is COC(=O)CNC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate?
The InChIKey is QJRZMNPLYAQFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-16-9(13)5-11-8(12)4-7-6-17(14,15)3-2-10-7/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate?
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate has a molecular weight of 264.30 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 80520066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).