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

C12H22N2O4S — CID 80520213

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCCCO1
InChIInChI=1S/C12H22N2O4S/c15-12(14-8-11-3-1-2-5-18-11)7-10-9-19(16,17)6-4-13-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyCXZJTQNPEHIYHG-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.55
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide (PubChem CID 80520213) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
PubChem CID80520213
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCCCO1
InChIInChI=1S/C12H22N2O4S/c15-12(14-8-11-3-1-2-5-18-11)7-10-9-19(16,17)6-4-13-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyCXZJTQNPEHIYHG-UHFFFAOYSA-N
XLogP-0.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)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

N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
CID 80520256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 80520161
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61363896
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-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520759

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide (CID 80520213) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC1CCCCO1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is CXZJTQNPEHIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-12(14-8-11-3-1-2-5-18-11)7-10-9-19(16,17)6-4-13-10/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 80520213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).