2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one

C10H19NO3S — CID 165485419

IUPAC2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one
SMILESCCCC1(CCC)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C10H19NO3S/c1-4-6-10(7-5-2)9(12)8-15(13,14)11(10)3/h4-8H2,1-3H3
InChIKeyMPUIZRVLOBKVQT-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one

2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one (PubChem CID 165485419) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one
PubChem CID165485419
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one
SMILESCCCC1(CCC)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C10H19NO3S/c1-4-6-10(7-5-2)9(12)8-15(13,14)11(10)3/h4-8H2,1-3H3
InChIKeyMPUIZRVLOBKVQT-UHFFFAOYSA-N
XLogP1.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one?
The IUPAC name of 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one (CID 165485419) is 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one.
What is the SMILES notation for 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one?
The canonical SMILES for 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one is CCCC1(CCC)C(=O)CS(=O)(=O)N1C.
What is the InChIKey of 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one?
The InChIKey is MPUIZRVLOBKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-4-6-10(7-5-2)9(12)8-15(13,14)11(10)3/h4-8H2,1-3H3.
What are the key properties of 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one?
2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-3,3-dipropyl-1,2-thiazolidin-4-one is sourced from PubChem (CID 165485419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).