methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate

C8H15NO4S — CID 43620009

IUPACmethyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
SMILESCOC(=O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-13-8(10)4-2-5-9-6-3-7-14(9,11)12/h2-7H2,1H3
InChIKeySFAHHFNDOHRFKF-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.02
Rot. Bonds4

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

methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate (PubChem CID 43620009) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
PubChem CID43620009
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namemethyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
SMILESCOC(=O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-13-8(10)4-2-5-9-6-3-7-14(9,11)12/h2-7H2,1H3
InChIKeySFAHHFNDOHRFKF-UHFFFAOYSA-N
XLogP-0.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate?
The IUPAC name of methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate (CID 43620009) is methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate.
What is the SMILES notation for methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate?
The canonical SMILES for methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate is COC(=O)CCCN1CCCS1(=O)=O.
What is the InChIKey of methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate?
The InChIKey is SFAHHFNDOHRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-13-8(10)4-2-5-9-6-3-7-14(9,11)12/h2-7H2,1H3.
What are the key properties of methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate?
methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate has a molecular weight of 221.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate is sourced from PubChem (CID 43620009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).