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

C10H20N2O5S — CID 80520002

IUPACN-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCOC(CNC(=O)CC1CS(=O)(=O)CCN1)OC
InChIInChI=1S/C10H20N2O5S/c1-16-10(17-2)6-12-9(13)5-8-7-18(14,15)4-3-11-8/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOYQDEJVOUJOPSB-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.50
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520002) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520002
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC NameN-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCOC(CNC(=O)CC1CS(=O)(=O)CCN1)OC
InChIInChI=1S/C10H20N2O5S/c1-16-10(17-2)6-12-9(13)5-8-7-18(14,15)4-3-11-8/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOYQDEJVOUJOPSB-UHFFFAOYSA-N
XLogP-1.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520759
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
CID 82723055
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-octylacetamide
CID 115568056
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-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
CID 80516106

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520002) is N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is COC(CNC(=O)CC1CS(=O)(=O)CCN1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is OYQDEJVOUJOPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-16-10(17-2)6-12-9(13)5-8-7-18(14,15)4-3-11-8/h8,10-11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 280.35 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).