2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol

C10H21NO3S — CID 106159312

IUPAC2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
SMILESCC(CO)CCCN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(7-12)4-3-5-11-6-10(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyTXLVTHMRRRGABB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.68
Rot. Bonds5

About 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol

2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol (PubChem CID 106159312) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
PubChem CID106159312
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
SMILESCC(CO)CCCN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(7-12)4-3-5-11-6-10(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyTXLVTHMRRRGABB-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The IUPAC name of 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol (CID 106159312) is 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol is CC(CO)CCCN1CC(C)CS1(=O)=O.
What is the InChIKey of 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The InChIKey is TXLVTHMRRRGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(7-12)4-3-5-11-6-10(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol is sourced from PubChem (CID 106159312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).