(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine

C15H22N2O2S — CID 119123191

IUPAC(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESC/C(=C/c1ccccc1)CNCCN1CCCS1(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-14(12-15-6-3-2-4-7-15)13-16-8-10-17-9-5-11-20(17,18)19/h2-4,6-7,12,16H,5,8-11,13H2,1H3/b14-12-
InChIKeyHREGKKKQBNWUPJ-OWBHPGMISA-N
MW294.42 g/mol
LogP1.72
Rot. Bonds6

About (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine

(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 119123191) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID119123191
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESC/C(=C/c1ccccc1)CNCCN1CCCS1(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-14(12-15-6-3-2-4-7-15)13-16-8-10-17-9-5-11-20(17,18)19/h2-4,6-7,12,16H,5,8-11,13H2,1H3/b14-12-
InChIKeyHREGKKKQBNWUPJ-OWBHPGMISA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine (CID 119123191) is (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine is C/C(=C/c1ccccc1)CNCCN1CCCS1(=O)=O.
What is the InChIKey of (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is HREGKKKQBNWUPJ-OWBHPGMISA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-14(12-15-6-3-2-4-7-15)13-16-8-10-17-9-5-11-20(17,18)19/h2-4,6-7,12,16H,5,8-11,13H2,1H3/b14-12-.
What are the key properties of (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine?
(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 294.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119123191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).