N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C13H27N3O2S — CID 51360716

IUPACN'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(C2CCCC2)S(=O)(=O)C1
InChIInChI=1S/C13H27N3O2S/c1-14(2)8-9-15(3)13-10-16(19(17,18)11-13)12-6-4-5-7-12/h12-13H,4-11H2,1-3H3
InChIKeyHVZONEMIIIHQNM-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.44
Rot. Bonds5

About N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 51360716) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID51360716
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(C2CCCC2)S(=O)(=O)C1
InChIInChI=1S/C13H27N3O2S/c1-14(2)8-9-15(3)13-10-16(19(17,18)11-13)12-6-4-5-7-12/h12-13H,4-11H2,1-3H3
InChIKeyHVZONEMIIIHQNM-UHFFFAOYSA-N
XLogP0.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 51360716) is N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CN(C2CCCC2)S(=O)(=O)C1.
What is the InChIKey of N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is HVZONEMIIIHQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-14(2)8-9-15(3)13-10-16(19(17,18)11-13)12-6-4-5-7-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 289.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 51360716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).