N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C11H25N3O2S — CID 55088032

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CCCS1(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-3-13(4-2)9-6-12-7-10-14-8-5-11-17(14,15)16/h12H,3-11H2,1-2H3
InChIKeyJADKRJYKFIIWJI-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.05
Rot. Bonds8

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 55088032) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID55088032
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CCCS1(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-3-13(4-2)9-6-12-7-10-14-8-5-11-17(14,15)16/h12H,3-11H2,1-2H3
InChIKeyJADKRJYKFIIWJI-UHFFFAOYSA-N
XLogP-0.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 55088032) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is JADKRJYKFIIWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-13(4-2)9-6-12-7-10-14-8-5-11-17(14,15)16/h12H,3-11H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 263.41 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 55088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).