2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one

C9H18N2O3S — CID 117029939

IUPAC2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one
SMILESCC(C)(CCN)N1C(=O)CCCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,5-6-10)11-8(12)4-3-7-15(11,13)14/h3-7,10H2,1-2H3
InChIKeyXWBUBGIACIOIAY-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.07
Rot. Bonds3

About 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one

2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one (PubChem CID 117029939) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one
PubChem CID117029939
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one
SMILESCC(C)(CCN)N1C(=O)CCCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,5-6-10)11-8(12)4-3-7-15(11,13)14/h3-7,10H2,1-2H3
InChIKeyXWBUBGIACIOIAY-UHFFFAOYSA-N
XLogP0.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one (CID 117029939) is 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one is CC(C)(CCN)N1C(=O)CCCS1(=O)=O.
What is the InChIKey of 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one?
The InChIKey is XWBUBGIACIOIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,5-6-10)11-8(12)4-3-7-15(11,13)14/h3-7,10H2,1-2H3.
What are the key properties of 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one?
2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one has a molecular weight of 234.32 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 117029939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).