ethane;N-[2-(methylamino)ethyl]thiohydroxylamine

C5H16N2S — CID 153374954

IUPACethane;N-[2-(methylamino)ethyl]thiohydroxylamine
SMILESCC.CNCCNS
InChIInChI=1S/C3H10N2S.C2H6/c1-4-2-3-5-6;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyAUHKBYJOXJAWTE-UHFFFAOYSA-N
MW136.26 g/mol
LogP0.67
Rot. Bonds3

About ethane;N-[2-(methylamino)ethyl]thiohydroxylamine

ethane;N-[2-(methylamino)ethyl]thiohydroxylamine (PubChem CID 153374954) has the molecular formula C5H16N2S and a molecular weight of 136.26 g/mol. Its IUPAC name is ethane;N-[2-(methylamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound Nameethane;N-[2-(methylamino)ethyl]thiohydroxylamine
PubChem CID153374954
Molecular FormulaC5H16N2S
Molecular Weight136.26 g/mol
Exact Mass136.10
IUPAC Nameethane;N-[2-(methylamino)ethyl]thiohydroxylamine
SMILESCC.CNCCNS
InChIInChI=1S/C3H10N2S.C2H6/c1-4-2-3-5-6;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyAUHKBYJOXJAWTE-UHFFFAOYSA-N
XLogP0.67
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.26
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
ethane;N-methylbutan-1-amine;propane
CID 142092371
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
ethane;N-methylthiohydroxylamine
CID 173327497
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
N-methylbutan-1-amine
CID 8068
N,5-dimethylhexan-1-amine;ethane
CID 142540507
CID 123195994
CID 123195994
N,6-dimethylheptan-1-amine;ethane
CID 169159475
N'-[2-[bis[2-(methylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 20736880

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(methylamino)ethyl]thiohydroxylamine?
The IUPAC name of ethane;N-[2-(methylamino)ethyl]thiohydroxylamine (CID 153374954) is ethane;N-[2-(methylamino)ethyl]thiohydroxylamine.
What is the SMILES notation for ethane;N-[2-(methylamino)ethyl]thiohydroxylamine?
The canonical SMILES for ethane;N-[2-(methylamino)ethyl]thiohydroxylamine is CC.CNCCNS.
What is the InChIKey of ethane;N-[2-(methylamino)ethyl]thiohydroxylamine?
The InChIKey is AUHKBYJOXJAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S.C2H6/c1-4-2-3-5-6;1-2/h4-6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-[2-(methylamino)ethyl]thiohydroxylamine?
ethane;N-[2-(methylamino)ethyl]thiohydroxylamine has a molecular weight of 136.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(methylamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 153374954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).