5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol

C9H19NO3S — CID 106159309

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol
SMILESCC(CO)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(8-11)4-2-5-10-6-3-7-14(10,12)13/h9,11H,2-8H2,1H3
InChIKeyNNISHYDGROCWGX-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds5

About 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol (PubChem CID 106159309) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol
PubChem CID106159309
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol
SMILESCC(CO)CCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(8-11)4-2-5-10-6-3-7-14(10,12)13/h9,11H,2-8H2,1H3
InChIKeyNNISHYDGROCWGX-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-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 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol (CID 106159309) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol is CC(CO)CCCN1CCCS1(=O)=O.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol?
The InChIKey is NNISHYDGROCWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(8-11)4-2-5-10-6-3-7-14(10,12)13/h9,11H,2-8H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 106159309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).