3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol

C10H21NO3S — CID 104550575

IUPAC3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol
SMILESCCC(CCO)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-10(4-5-12)7-11-6-9(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyXWHUULJGNZAIQW-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.68
Rot. Bonds5

About 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol

3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol (PubChem CID 104550575) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol
PubChem CID104550575
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol
SMILESCCC(CCO)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-10(4-5-12)7-11-6-9(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyXWHUULJGNZAIQW-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 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol?
The IUPAC name of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol (CID 104550575) is 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol?
The canonical SMILES for 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol is CCC(CCO)CN1CC(C)CS1(=O)=O.
What is the InChIKey of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol?
The InChIKey is XWHUULJGNZAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-10(4-5-12)7-11-6-9(2)8-15(11,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol?
3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]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 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-1-ol is sourced from PubChem (CID 104550575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).