2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid

C11H14N2O4S — CID 70683867

IUPAC2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid
SMILESO=C(O)CN1CCCN(c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H14N2O4S/c14-11(15)9-12-7-4-8-13(18(12,16)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)
InChIKeyZJZNONZBKUIXKL-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.53
Rot. Bonds3

About 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid

2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid (PubChem CID 70683867) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid
PubChem CID70683867
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid
SMILESO=C(O)CN1CCCN(c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H14N2O4S/c14-11(15)9-12-7-4-8-13(18(12,16)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)
InChIKeyZJZNONZBKUIXKL-UHFFFAOYSA-N
XLogP0.53
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid?
The IUPAC name of 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid (CID 70683867) is 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid.
What is the SMILES notation for 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid?
The canonical SMILES for 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid is O=C(O)CN1CCCN(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid?
The InChIKey is ZJZNONZBKUIXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-11(15)9-12-7-4-8-13(18(12,16)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15).
What are the key properties of 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid?
2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid has a molecular weight of 270.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetic acid is sourced from PubChem (CID 70683867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).