2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

C13H26N2O4S — CID 80520131

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H26N2O4S/c1-3-12(4-2)15(6-7-16)13(17)9-11-10-20(18,19)8-5-14-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYYKOEODILMIBEK-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.23
Rot. Bonds7

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (PubChem CID 80520131) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
PubChem CID80520131
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H26N2O4S/c1-3-12(4-2)15(6-7-16)13(17)9-11-10-20(18,19)8-5-14-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYYKOEODILMIBEK-UHFFFAOYSA-N
XLogP-0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (CID 80520131) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is YYKOEODILMIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-12(4-2)15(6-7-16)13(17)9-11-10-20(18,19)8-5-14-11/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 306.43 g/mol, XLogP of -0.23, 7 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-(2-hydroxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 80520131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).