2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate

C10H19NO4S — CID 59779829

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCN1CCCS1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-9(2)10(12)15-7-6-11-5-4-8-16(11,13)14/h9H,3-8H2,1-2H3
InChIKeyPGZILDLFCKLKIR-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.61
Rot. Bonds5

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate (PubChem CID 59779829) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate
PubChem CID59779829
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCN1CCCS1(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-9(2)10(12)15-7-6-11-5-4-8-16(11,13)14/h9H,3-8H2,1-2H3
InChIKeyPGZILDLFCKLKIR-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-methylpropanoic acid
CID 119237341
5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
propyl (2R)-2-methylbutanoate
CID 86306230
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358
3-methylpentyl 2-methylbutanoate
CID 3019319
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
CID 104594532
tert-butyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoate
CID 116662651

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate (CID 59779829) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate is CCC(C)C(=O)OCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate?
The InChIKey is PGZILDLFCKLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-9(2)10(12)15-7-6-11-5-4-8-16(11,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate has a molecular weight of 249.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate is sourced from PubChem (CID 59779829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).