N-(2-aminoethyl)-N-ethylthiohydroxylamine

C4H12N2S — CID 88508689

IUPACN-(2-aminoethyl)-N-ethylthiohydroxylamine
SMILESCCN(S)CCN
InChIInChI=1S/C4H12N2S/c1-2-6(7)4-3-5/h7H,2-5H2,1H3
InChIKeyXPRYQRLKMZCPNF-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.11
Rot. Bonds3

About N-(2-aminoethyl)-N-ethylthiohydroxylamine

N-(2-aminoethyl)-N-ethylthiohydroxylamine (PubChem CID 88508689) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethylthiohydroxylamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethylthiohydroxylamine
PubChem CID88508689
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameN-(2-aminoethyl)-N-ethylthiohydroxylamine
SMILESCCN(S)CCN
InChIInChI=1S/C4H12N2S/c1-2-6(7)4-3-5/h7H,2-5H2,1H3
InChIKeyXPRYQRLKMZCPNF-UHFFFAOYSA-N
XLogP0.11
TPSA29.26 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 ≤ 50.11
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-Diethylethylenediamine
CID 60993
N-Ethylethylenediamine
CID 66071
N,N'-Diethylethylenediamine
CID 67105
2,5-Diazaheptane
CID 67104
N-Methyl-2,2'-diaminodiethylamine
CID 430288
N-(2-aminoethyl)-N'-methylethylenediamine
CID 118593
N~1~-(2-Aminoethyl)-N~2~-ethylethane-1,2-diamine
CID 13796119
1,1,4-Trimethyldiethylenetrimine
CID 193156
(2-Aminoethyl)(ethyl)methylamine
CID 14598030
2-Azaniumylethyl(ethyl)azanium
CID 6999060
2,2-Diaminodiethylamine
CID 14029763
N~1~-(2-Aminoethyl)-N~1~-ethylethane-1,2-diamine
CID 14122861

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethylthiohydroxylamine?
The IUPAC name of N-(2-aminoethyl)-N-ethylthiohydroxylamine (CID 88508689) is N-(2-aminoethyl)-N-ethylthiohydroxylamine.
What is the SMILES notation for N-(2-aminoethyl)-N-ethylthiohydroxylamine?
The canonical SMILES for N-(2-aminoethyl)-N-ethylthiohydroxylamine is CCN(S)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-ethylthiohydroxylamine?
The InChIKey is XPRYQRLKMZCPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-2-6(7)4-3-5/h7H,2-5H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethylthiohydroxylamine?
N-(2-aminoethyl)-N-ethylthiohydroxylamine has a molecular weight of 120.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethylthiohydroxylamine is sourced from PubChem (CID 88508689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).