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

C13H25N3O3S — CID 80520122

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-16-6-3-11(4-7-16)15-13(17)9-12-10-20(18,19)8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyANVZITWXZKGZKR-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.64
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 80520122) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID80520122
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-16-6-3-11(4-7-16)15-13(17)9-12-10-20(18,19)8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyANVZITWXZKGZKR-UHFFFAOYSA-N
XLogP-0.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518479
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 80520208
N-(1-cyclopropylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520231
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
CID 80520811
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
2-(4-methylpiperazin-2-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 115178258
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
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-(2-oxoazepan-3-yl)acetamide
CID 80519686

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide (CID 80520122) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is ANVZITWXZKGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-2-16-6-3-11(4-7-16)15-13(17)9-12-10-20(18,19)8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 303.43 g/mol, XLogP of -0.64, 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-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 80520122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).