2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid

C8H16N2O4S — CID 58737794

IUPAC2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid
SMILESCC(C)N1CCN(CC(=O)O)CS1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-7(2)10-4-3-9(5-8(11)12)6-15(10,13)14/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGCUOGLTYBDDUNV-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.62
Rot. Bonds3

About 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid

2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid (PubChem CID 58737794) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid
PubChem CID58737794
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid
SMILESCC(C)N1CCN(CC(=O)O)CS1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-7(2)10-4-3-9(5-8(11)12)6-15(10,13)14/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGCUOGLTYBDDUNV-UHFFFAOYSA-N
XLogP-0.62
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid?
The IUPAC name of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid (CID 58737794) is 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid.
What is the SMILES notation for 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid?
The canonical SMILES for 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid is CC(C)N1CCN(CC(=O)O)CS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid?
The InChIKey is GCUOGLTYBDDUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-7(2)10-4-3-9(5-8(11)12)6-15(10,13)14/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid?
2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)acetic acid is sourced from PubChem (CID 58737794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).