2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride

C4H13ClN2O2S2 — CID 3084052

IUPAC2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S2.ClH/c5-1-3-9-10(7,8)4-2-6;/h1-6H2;1H
InChIKeyUHSQGLSSKHZQSU-UHFFFAOYSA-N
MW220.75 g/mol
LogP-0.61
Rot. Bonds5

About 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride

2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride (PubChem CID 3084052) has the molecular formula C4H13ClN2O2S2 and a molecular weight of 220.75 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride
PubChem CID3084052
Molecular FormulaC4H13ClN2O2S2
Molecular Weight220.75 g/mol
Exact Mass220.01
IUPAC Name2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S2.ClH/c5-1-3-9-10(7,8)4-2-6;/h1-6H2;1H
InChIKeyUHSQGLSSKHZQSU-UHFFFAOYSA-N
XLogP-0.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.75
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Magnesium taurate
CID 13343447
Taurinamide
CID 101263
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Iron(II) taurate
CID 165362857
2-Aminoethanesulphonamide monohydrochloride
CID 3021549
3-Aminopropane-1-sulfonamide hydrochloride
CID 20031880
2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride
CID 23448789
2-amino-N-methylethane-1-sulfonamide hydrochloride
CID 46736945
1-Aminopropane-2-sulfonamide hydrochloride
CID 71432993
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
4-Aminobutane-1-sulfonamide hydrochloride
CID 119032131
Taurine Zinc Salt (2:1)
CID 88092469

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride (CID 3084052) is 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride is Cl.NCCSS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride?
The InChIKey is UHSQGLSSKHZQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S2.ClH/c5-1-3-9-10(7,8)4-2-6;/h1-6H2;1H.
What are the key properties of 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride?
2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride has a molecular weight of 220.75 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonylsulfanyl)ethanamine;hydrochloride is sourced from PubChem (CID 3084052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).