N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine

C8H20N4O2S — CID 59779738

IUPACN-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESCNCCN1CCN(CCNC)S1(=O)=O
InChIInChI=1S/C8H20N4O2S/c1-9-3-5-11-7-8-12(6-4-10-2)15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyDITRJAVDKFJIMF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.71
Rot. Bonds6

About N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine

N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine (PubChem CID 59779738) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
PubChem CID59779738
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC NameN-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESCNCCN1CCN(CCNC)S1(=O)=O
InChIInChI=1S/C8H20N4O2S/c1-9-3-5-11-7-8-12(6-4-10-2)15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyDITRJAVDKFJIMF-UHFFFAOYSA-N
XLogP-1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamic acid, reaction products with diethylenetriamine
CID 90659467
Sulfamic acid, reaction products with triethylenetetramine
CID 90659468
1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-(2-Aminoethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57697904
N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 59779854
N-(2-aminoethyl)-N-propylpyrrolidine-1-sulfonamide
CID 61349359
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine;hydrochloride
CID 140105778
N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine
CID 155056327
1-Amino-2-[[2-aminoethyl(ethyl)sulfamoyl]amino]ethane
CID 155056416
N'-(diethylsulfamoyl)-N'-ethylethane-1,2-diamine
CID 61349697

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine (CID 59779738) is N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine is CNCCN1CCN(CCNC)S1(=O)=O.
What is the InChIKey of N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The InChIKey is DITRJAVDKFJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-9-3-5-11-7-8-12(6-4-10-2)15(11,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of -1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine is sourced from PubChem (CID 59779738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).