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

C10H20N2O4S — CID 58737702

IUPAC2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid
SMILESCC(C)N1CCN(C(C)(C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8(2)12-6-5-11(7-17(12,15)16)10(3,4)9(13)14/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyBJJITXXWWLAYBF-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.16
Rot. Bonds3

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

2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid (PubChem CID 58737702) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid
PubChem CID58737702
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid
SMILESCC(C)N1CCN(C(C)(C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8(2)12-6-5-11(7-17(12,15)16)10(3,4)9(13)14/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyBJJITXXWWLAYBF-UHFFFAOYSA-N
XLogP0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.16
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)-2-methylpropanoic acid?
The IUPAC name of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid (CID 58737702) is 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid is CC(C)N1CCN(C(C)(C)C(=O)O)CS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid?
The InChIKey is BJJITXXWWLAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)12-6-5-11(7-17(12,15)16)10(3,4)9(13)14/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid?
2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)-2-methylpropanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.16, 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)-2-methylpropanoic acid is sourced from PubChem (CID 58737702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).