2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

C10H20N2O3S — CID 117030013

IUPAC2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC(C)(N)CCN1C(=O)C(C)(C)CS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-9(2)7-16(14,15)12(8(9)13)6-5-10(3,4)11/h5-7,11H2,1-4H3
InChIKeyVLJHMWQSTIXETL-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 117030013) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID117030013
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC(C)(N)CCN1C(=O)C(C)(C)CS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-9(2)7-16(14,15)12(8(9)13)6-5-10(3,4)11/h5-7,11H2,1-4H3
InChIKeyVLJHMWQSTIXETL-UHFFFAOYSA-N
XLogP0.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-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-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 117030013) is 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is CC(C)(N)CCN1C(=O)C(C)(C)CS1(=O)=O.
What is the InChIKey of 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is VLJHMWQSTIXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2)7-16(14,15)12(8(9)13)6-5-10(3,4)11/h5-7,11H2,1-4H3.
What are the key properties of 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 248.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 117030013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).