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

C12H22N2O4S — CID 80520256

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCCOC1
InChIInChI=1S/C12H22N2O4S/c15-12(14-7-10-2-1-4-18-8-10)6-11-9-19(16,17)5-3-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyWNGLVXGRRGJIIS-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.69
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide (PubChem CID 80520256) 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-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
PubChem CID80520256
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCCOC1
InChIInChI=1S/C12H22N2O4S/c15-12(14-7-10-2-1-4-18-8-10)6-11-9-19(16,17)5-3-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyWNGLVXGRRGJIIS-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
N-(oxan-3-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366642
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
CID 107138448
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 80520213
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 80521218
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-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520771
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
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-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide (CID 80520256) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC1CCCOC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is WNGLVXGRRGJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-12(14-7-10-2-1-4-18-8-10)6-11-9-19(16,17)5-3-13-11/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-3-ylmethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of -0.69, 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-3-ylmethyl)acetamide is sourced from PubChem (CID 80520256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).