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

C8H20N4OS — CID 59779854

IUPACN-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESCNCCN1CCN(CCNC)S1=O
InChIInChI=1S/C8H20N4OS/c1-9-3-5-11-7-8-12(14(11)13)6-4-10-2/h9-10H,3-8H2,1-2H3
InChIKeyYKGLHIMXGJRPFP-UHFFFAOYSA-N
MW220.34 g/mol
LogP-1.38
Rot. Bonds6

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

N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine (PubChem CID 59779854) has the molecular formula C8H20N4OS and a molecular weight of 220.34 g/mol. Its IUPAC name is N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine
PubChem CID59779854
Molecular FormulaC8H20N4OS
Molecular Weight220.34 g/mol
Exact Mass220.14
IUPAC NameN-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESCNCCN1CCN(CCNC)S1=O
InChIInChI=1S/C8H20N4OS/c1-9-3-5-11-7-8-12(14(11)13)6-4-10-2/h9-10H,3-8H2,1-2H3
InChIKeyYKGLHIMXGJRPFP-UHFFFAOYSA-N
XLogP-1.38
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[5-[2-(methylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 59779738
2-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89189912
2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-methylethanamine
CID 84779850
N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 112752098

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine (CID 59779854) is N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine is CNCCN1CCN(CCNC)S1=O.
What is the InChIKey of N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
The InChIKey is YKGLHIMXGJRPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4OS/c1-9-3-5-11-7-8-12(14(11)13)6-4-10-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine?
N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine has a molecular weight of 220.34 g/mol, XLogP of -1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine is sourced from PubChem (CID 59779854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).