N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine

C4H12N2S — CID 130196456

IUPACN-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine
SMILESCNCCN(C)S
InChIInChI=1S/C4H12N2S/c1-5-3-4-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyHAGCMCUODUULHM-UHFFFAOYSA-N
MW120.22 g/mol
LogP-0.02
Rot. Bonds3

About N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine

N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine (PubChem CID 130196456) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine
PubChem CID130196456
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine
SMILESCNCCN(C)S
InChIInChI=1S/C4H12N2S/c1-5-3-4-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyHAGCMCUODUULHM-UHFFFAOYSA-N
XLogP-0.02
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-Dimethylethylenediamine
CID 8070
N-Methylethylenediamine
CID 8014
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
N-Ethylethylenediamine
CID 66071
N,N'-Diethylethylenediamine
CID 67105
2,5-Diazaheptane
CID 67104
N-(2-aminoethyl)-N'-methylethylenediamine
CID 118593
N~1~-(2-Aminoethyl)-N~2~-ethylethane-1,2-diamine
CID 13796119
2-(Dimethylamino)ethyl-dimethylazanium
CID 28102458
N,N'-Dimethylethane-1,2-diamine dihydrochloride
CID 13001181
2-Azaniumylethyl(dimethyl)azanium
CID 6993230
2-Aminoethyl(dimethyl)azanium
CID 22976710

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine (CID 130196456) is N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine is CNCCN(C)S.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine?
The InChIKey is HAGCMCUODUULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-5-3-4-6(2)7/h5,7H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine?
N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine has a molecular weight of 120.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 130196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).