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

C14H28N2O3S — CID 115568056

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-16-14(17)11-13-12-20(18,19)10-9-15-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyAILGUUUVOSMDTM-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.24
Rot. Bonds9

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide (PubChem CID 115568056) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
PubChem CID115568056
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-16-14(17)11-13-12-20(18,19)10-9-15-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyAILGUUUVOSMDTM-UHFFFAOYSA-N
XLogP1.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
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-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
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-(4-imidazol-1-ylbutyl)acetamide
CID 80518226
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-morpholin-3-yl-N-octylacetamide
CID 113337235
pentyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518817
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide (CID 115568056) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide is CCCCCCCCNC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide?
The InChIKey is AILGUUUVOSMDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-2-3-4-5-6-7-8-16-14(17)11-13-12-20(18,19)10-9-15-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide has a molecular weight of 304.46 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide is sourced from PubChem (CID 115568056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).