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

C10H21NO3S — CID 107155525

IUPAC4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(2)4-10(12)6-11-5-9(3)7-15(11,13)14/h8-10,12H,4-7H2,1-3H3
InChIKeyNKOHCYKNHHBQJY-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.67
Rot. Bonds4

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

4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol (PubChem CID 107155525) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
PubChem CID107155525
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(2)4-10(12)6-11-5-9(3)7-15(11,13)14/h8-10,12H,4-7H2,1-3H3
InChIKeyNKOHCYKNHHBQJY-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The IUPAC name of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol (CID 107155525) is 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol is CC(C)CC(O)CN1CC(C)CS1(=O)=O.
What is the InChIKey of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The InChIKey is NKOHCYKNHHBQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)4-10(12)6-11-5-9(3)7-15(11,13)14/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol is sourced from PubChem (CID 107155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).