2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C11H17N3O3S2 — CID 80520928

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)c1nccs1
InChIInChI=1S/C11H17N3O3S2/c1-8(11-13-2-4-18-11)14-10(15)6-9-7-19(16,17)5-3-12-9/h2,4,8-9,12H,3,5-7H2,1H3,(H,14,15)
InChIKeyJBSFQNJDBYMJGF-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.10
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 80520928) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID80520928
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)c1nccs1
InChIInChI=1S/C11H17N3O3S2/c1-8(11-13-2-4-18-11)14-10(15)6-9-7-19(16,17)5-3-12-9/h2,4,8-9,12H,3,5-7H2,1H3,(H,14,15)
InChIKeyJBSFQNJDBYMJGF-UHFFFAOYSA-N
XLogP0.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 80520928) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(NC(=O)CC1CS(=O)(=O)CCN1)c1nccs1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is JBSFQNJDBYMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-8(11-13-2-4-18-11)14-10(15)6-9-7-19(16,17)5-3-12-9/h2,4,8-9,12H,3,5-7H2,1H3,(H,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 80520928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).