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

C6H14N2O2S — CID 43619976

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
SMILESNCCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c7-3-1-4-8-5-2-6-11(8,9)10/h1-7H2
InChIKeyTUMKUGXOTUQNIU-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds3

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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine (PubChem CID 43619976) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
PubChem CID43619976
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
SMILESNCCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c7-3-1-4-8-5-2-6-11(8,9)10/h1-7H2
InChIKeyTUMKUGXOTUQNIU-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
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)propan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine (CID 43619976) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine is NCCCN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
The InChIKey is TUMKUGXOTUQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-3-1-4-8-5-2-6-11(8,9)10/h1-7H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine has a molecular weight of 178.26 g/mol, XLogP of -0.63, 3 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)propan-1-amine is sourced from PubChem (CID 43619976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).