2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H20N2O3S — CID 79886501

IUPAC2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CC(CN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-7(2)5-8(6-11)12-9(13)10(3,4)16(12,14)15/h7-8H,5-6,11H2,1-4H3
InChIKeyORQZDJPQCHVTRD-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.31
Rot. Bonds4

About 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886501) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886501
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CC(CN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-7(2)5-8(6-11)12-9(13)10(3,4)16(12,14)15/h7-8H,5-6,11H2,1-4H3
InChIKeyORQZDJPQCHVTRD-UHFFFAOYSA-N
XLogP0.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886501) is 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(C)CC(CN)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is ORQZDJPQCHVTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(2)5-8(6-11)12-9(13)10(3,4)16(12,14)15/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 248.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).