2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride

C3H10ClNO2S — CID 87244775

IUPAC2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride
SMILESCl.[2H]C([2H])S(=O)(=O)CCN
InChIInChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H/i1D2;
InChIKeyAMYYUKGKCJKCBI-CUOKRTIESA-N
MW161.65 g/mol
LogP-0.59
Rot. Bonds3

About 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride

2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride (PubChem CID 87244775) has the molecular formula C3H10ClNO2S and a molecular weight of 161.65 g/mol. Its IUPAC name is 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride
PubChem CID87244775
Molecular FormulaC3H10ClNO2S
Molecular Weight161.65 g/mol
Exact Mass161.02
IUPAC Name2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride
SMILESCl.[2H]C([2H])S(=O)(=O)CCN
InChIInChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H/i1D2;
InChIKeyAMYYUKGKCJKCBI-CUOKRTIESA-N
XLogP-0.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.65
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride (CID 87244775) is 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride is Cl.[2H]C([2H])S(=O)(=O)CCN.
What is the InChIKey of 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is AMYYUKGKCJKCBI-CUOKRTIESA-N. The full InChI is InChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H/i1D2;.
What are the key properties of 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride?
2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 161.65 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dideuteriomethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 87244775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).