N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine

C8H16N2O2S — CID 62566554

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-4-9-5-7-10-6-3-8-13(10,11)12/h2,9H,1,3-8H2
InChIKeyQNNCRJFWQRJIRT-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds5

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 62566554) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
PubChem CID62566554
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-4-9-5-7-10-6-3-8-13(10,11)12/h2,9H,1,3-8H2
InChIKeyQNNCRJFWQRJIRT-UHFFFAOYSA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine (CID 62566554) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is QNNCRJFWQRJIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-4-9-5-7-10-6-3-8-13(10,11)12/h2,9H,1,3-8H2.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 204.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62566554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).