4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol

C11H23NO4S — CID 66174660

IUPAC4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
SMILESCC(C)CC(C)(O)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H23NO4S/c1-8(2)4-11(3,14)7-12-9-5-17(15,16)6-10(9)13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyQPJJXLLGMSFDSA-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.47
Rot. Bonds5

About 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol

4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 66174660) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID66174660
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
SMILESCC(C)CC(C)(O)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H23NO4S/c1-8(2)4-11(3,14)7-12-9-5-17(15,16)6-10(9)13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyQPJJXLLGMSFDSA-UHFFFAOYSA-N
XLogP-0.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol 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 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol (CID 66174660) is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol is CC(C)CC(C)(O)CNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is QPJJXLLGMSFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-8(2)4-11(3,14)7-12-9-5-17(15,16)6-10(9)13/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol?
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 265.37 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 66174660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).