2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C11H22N2O4S — CID 113317737

IUPAC2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-8(2)5-12-6-9(14)7-13-10(15)11(3,4)18(13,16)17/h8-9,12,14H,5-7H2,1-4H3
InChIKeyAXEOLWNOZQPAPC-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.46
Rot. Bonds6

About 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 113317737) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID113317737
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-8(2)5-12-6-9(14)7-13-10(15)11(3,4)18(13,16)17/h8-9,12,14H,5-7H2,1-4H3
InChIKeyAXEOLWNOZQPAPC-UHFFFAOYSA-N
XLogP-0.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-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-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 113317737) is 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(C)CNCC(O)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is AXEOLWNOZQPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(2)5-12-6-9(14)7-13-10(15)11(3,4)18(13,16)17/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 278.37 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 113317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).