2-(methylsulfonimidoyl)ethanamine;dihydrochloride

C3H12Cl2N2OS — CID 138040850

IUPAC2-(methylsulfonimidoyl)ethanamine;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CCN
InChIInChI=1S/C3H10N2OS.2ClH/c1-7(5,6)3-2-4;;/h5H,2-4H2,1H3;2*1H
InChIKeyDPOBZHXDEUHFFL-UHFFFAOYSA-N
MW195.11 g/mol
LogP0.47
Rot. Bonds2

About 2-(methylsulfonimidoyl)ethanamine;dihydrochloride

2-(methylsulfonimidoyl)ethanamine;dihydrochloride (PubChem CID 138040850) has the molecular formula C3H12Cl2N2OS and a molecular weight of 195.11 g/mol. Its IUPAC name is 2-(methylsulfonimidoyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(methylsulfonimidoyl)ethanamine;dihydrochloride
PubChem CID138040850
Molecular FormulaC3H12Cl2N2OS
Molecular Weight195.11 g/mol
Exact Mass194.00
IUPAC Name2-(methylsulfonimidoyl)ethanamine;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CCN
InChIInChI=1S/C3H10N2OS.2ClH/c1-7(5,6)3-2-4;;/h5H,2-4H2,1H3;2*1H
InChIKeyDPOBZHXDEUHFFL-UHFFFAOYSA-N
XLogP0.47
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylsulfinyl)ethanamine
CID 4347855
2-(Methylsulfinyl)ethanamine hydrochloride
CID 10464435
(2-Aminoethyl)(methyl)(methylimino)-lambda6-sulfanone
CID 119056976
[(2-Aminoethyl)imino](ethyl)methyl-lambda6-sulfanone
CID 131002982
(4-Aminobutyl)(imino)methyl-lambda6-sulfanone dihydrochloride
CID 177801828
2-(S-Methylsulfonimidoyl)ethanamine
CID 135313925
Bis(2-aminoethyl)sulphoxide dihydrochloride
CID 12574422
3-(Methylsulfonimidoyl)propan-1-amine;dihydrochloride
CID 170912715
2-Methylsulfinylethylazanium
CID 7023252
2-[(R)-methylsulfinyl]ethanamine
CID 11029089
2-[(S)-methylsulfinyl]ethanamine
CID 11083254
2-Methylsulfinylethane-1,1-diamine
CID 87580702

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonimidoyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(methylsulfonimidoyl)ethanamine;dihydrochloride (CID 138040850) is 2-(methylsulfonimidoyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(methylsulfonimidoyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(methylsulfonimidoyl)ethanamine;dihydrochloride is Cl.Cl.[H]N=S(C)(=O)CCN.
What is the InChIKey of 2-(methylsulfonimidoyl)ethanamine;dihydrochloride?
The InChIKey is DPOBZHXDEUHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OS.2ClH/c1-7(5,6)3-2-4;;/h5H,2-4H2,1H3;2*1H.
What are the key properties of 2-(methylsulfonimidoyl)ethanamine;dihydrochloride?
2-(methylsulfonimidoyl)ethanamine;dihydrochloride has a molecular weight of 195.11 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonimidoyl)ethanamine;dihydrochloride is sourced from PubChem (CID 138040850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).