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

C15H25N3O2S — CID 51359875

IUPACN'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(Cc2ccccc2)S(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c1-16(2)9-10-17(3)15-12-18(21(19,20)13-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyXTHRZGSIKMHOJV-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.69
Rot. Bonds6

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

N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 51359875) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID51359875
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(Cc2ccccc2)S(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c1-16(2)9-10-17(3)15-12-18(21(19,20)13-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyXTHRZGSIKMHOJV-UHFFFAOYSA-N
XLogP0.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 51359875) is N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CN(Cc2ccccc2)S(=O)(=O)C1.
What is the InChIKey of N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is XTHRZGSIKMHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16(2)9-10-17(3)15-12-18(21(19,20)13-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 311.45 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 51359875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).