3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide

C13H25N3O4S — CID 80516106

IUPAC3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H25N3O4S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-21(19,20)8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyUTKTUWJLLJOHRH-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.86
Rot. Bonds7

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

3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide (PubChem CID 80516106) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
PubChem CID80516106
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H25N3O4S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-21(19,20)8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyUTKTUWJLLJOHRH-UHFFFAOYSA-N
XLogP-0.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-octylacetamide
CID 115568056
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
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-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 113468661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
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
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide (CID 80516106) is 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide?
The InChIKey is UTKTUWJLLJOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-21(19,20)8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide?
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide has a molecular weight of 319.43 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 80516106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).