2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H19NO4S — CID 107155550

IUPAC2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(2)5-8(12)6-11-9(13)10(3,4)16(11,14)15/h7-8,12H,5-6H2,1-4H3
InChIKeyOCDGAUYGNIWWKJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.34
Rot. Bonds4

About 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 107155550) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID107155550
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(C)CC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(2)5-8(12)6-11-9(13)10(3,4)16(11,14)15/h7-8,12H,5-6H2,1-4H3
InChIKeyOCDGAUYGNIWWKJ-UHFFFAOYSA-N
XLogP0.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxy-4-methylpentyl)-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

Related Compounds

2-(1-Hydroxy-4-methylpentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549239
2-(2-Cyclopropyl-2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549594
2-[(2-Hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550134
2-[(3-Hydroxycyclobutyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550262
2-(4-Hydroxy-2-methylbutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550297
2-(2-Hydroxy-2,4-dimethylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550332
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550460
2-(1-Hydroxy-3-methylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550496
2-(2-Ethyl-4-hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550564
2-(4-Hydroxypentan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550794
2-(4-Hydroxypentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106131431
2-(5-Hydroxy-2,2-dimethylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106146205

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 107155550) is 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(C)CC(O)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is OCDGAUYGNIWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)5-8(12)6-11-9(13)10(3,4)16(11,14)15/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 249.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 107155550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).