3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine

C7H14N2O2S — CID 61349589

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C7H14N2O2S/c8-6-4-7(5-6)9-2-1-3-12(9,10)11/h6-7H,1-5,8H2
InChIKeyLARPVUYTHZGMTE-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.49
Rot. Bonds1

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine (PubChem CID 61349589) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
PubChem CID61349589
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C7H14N2O2S/c8-6-4-7(5-6)9-2-1-3-12(9,10)11/h6-7H,1-5,8H2
InChIKeyLARPVUYTHZGMTE-UHFFFAOYSA-N
XLogP-0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine (CID 61349589) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine is NC1CC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine?
The InChIKey is LARPVUYTHZGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c8-6-4-7(5-6)9-2-1-3-12(9,10)11/h6-7H,1-5,8H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine has a molecular weight of 190.27 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 61349589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).