2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride

C4H14Cl2N2OS — CID 12574422

IUPAC2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCS(=O)CCN
InChIInChI=1S/C4H12N2OS.2ClH/c5-1-3-8(7)4-2-6;;/h1-6H2;2*1H
InChIKeySXNVGKPQBQDNRO-UHFFFAOYSA-N
MW209.14 g/mol
LogP-0.50
Rot. Bonds4

About 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride

2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride (PubChem CID 12574422) has the molecular formula C4H14Cl2N2OS and a molecular weight of 209.14 g/mol. Its IUPAC name is 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride
PubChem CID12574422
Molecular FormulaC4H14Cl2N2OS
Molecular Weight209.14 g/mol
Exact Mass208.02
IUPAC Name2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCS(=O)CCN
InChIInChI=1S/C4H12N2OS.2ClH/c5-1-3-8(7)4-2-6;;/h1-6H2;2*1H
InChIKeySXNVGKPQBQDNRO-UHFFFAOYSA-N
XLogP-0.50
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-Aminoethyl)sulfanyl)ethan-1-amine dihydrochloride
CID 12574415
(2-Aminoethyl)(imino)methyl-lambda6-sulfanone dihydrochloride
CID 138040850
Bis(2-amino-ethyl)sulphoxide
CID 426891
2-(2-Aminoethanesulfonyl)ethan-1-amine
CID 19026147
Aminopropyl sulfoxide
CID 85529949
3-(Methylsulfonimidoyl)propan-1-amine;dihydrochloride
CID 170912715
2-(2-Aminoethylsulfinyl)ethanamine;hydrobromide
CID 24195871
2-(Ethanesulfinyl)ethan-1-amine
CID 15260276
2-(2-Aminoethanesulfonyl)ethan-1-amine dihydrochloride
CID 21548032
1-(2-Aminoethylsulfinyl)ethanamine
CID 87528120
2-(2,2-Diaminoethylsulfinyl)ethane-1,1-diamine
CID 88048900
2-Aminoethylsulfone hydrocloride
CID 131728699

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride (CID 12574422) is 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride is Cl.Cl.NCCS(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride?
The InChIKey is SXNVGKPQBQDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OS.2ClH/c5-1-3-8(7)4-2-6;;/h1-6H2;2*1H.
What are the key properties of 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride?
2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride has a molecular weight of 209.14 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfinyl)ethanamine;dihydrochloride is sourced from PubChem (CID 12574422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).