2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride

C5H14ClNO3S — CID 86645472

IUPAC2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride
SMILESCOCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H13NO3S.ClH/c1-9-3-5-10(7,8)4-2-6;/h2-6H2,1H3;1H
InChIKeyWWEKKHFBQBAXRO-UHFFFAOYSA-N
MW203.69 g/mol
LogP-0.57
Rot. Bonds5

About 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride

2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride (PubChem CID 86645472) has the molecular formula C5H14ClNO3S and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride
PubChem CID86645472
Molecular FormulaC5H14ClNO3S
Molecular Weight203.69 g/mol
Exact Mass203.04
IUPAC Name2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride
SMILESCOCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H13NO3S.ClH/c1-9-3-5-10(7,8)4-2-6;/h2-6H2,1H3;1H
InChIKeyWWEKKHFBQBAXRO-UHFFFAOYSA-N
XLogP-0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride (CID 86645472) is 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride is COCCS(=O)(=O)CCN.Cl.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is WWEKKHFBQBAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S.ClH/c1-9-3-5-10(7,8)4-2-6;/h2-6H2,1H3;1H.
What are the key properties of 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride?
2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 86645472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).