2-aminoethyl methanesulfonate;hydrochloride

C3H10ClNO3S — CID 21252774

IUPAC2-aminoethyl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OCCN.Cl
InChIInChI=1S/C3H9NO3S.ClH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
InChIKeyZXBDSKWCLYZZJI-UHFFFAOYSA-N
MW175.64 g/mol
LogP-0.66
Rot. Bonds3

About 2-aminoethyl methanesulfonate;hydrochloride

2-aminoethyl methanesulfonate;hydrochloride (PubChem CID 21252774) has the molecular formula C3H10ClNO3S and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-aminoethyl methanesulfonate;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl methanesulfonate;hydrochloride
PubChem CID21252774
Molecular FormulaC3H10ClNO3S
Molecular Weight175.64 g/mol
Exact Mass175.01
IUPAC Name2-aminoethyl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OCCN.Cl
InChIInChI=1S/C3H9NO3S.ClH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
InChIKeyZXBDSKWCLYZZJI-UHFFFAOYSA-N
XLogP-0.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl methanesulfonate;hydrochloride?
The IUPAC name of 2-aminoethyl methanesulfonate;hydrochloride (CID 21252774) is 2-aminoethyl methanesulfonate;hydrochloride.
What is the SMILES notation for 2-aminoethyl methanesulfonate;hydrochloride?
The canonical SMILES for 2-aminoethyl methanesulfonate;hydrochloride is CS(=O)(=O)OCCN.Cl.
What is the InChIKey of 2-aminoethyl methanesulfonate;hydrochloride?
The InChIKey is ZXBDSKWCLYZZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.ClH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H.
What are the key properties of 2-aminoethyl methanesulfonate;hydrochloride?
2-aminoethyl methanesulfonate;hydrochloride has a molecular weight of 175.64 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl methanesulfonate;hydrochloride is sourced from PubChem (CID 21252774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).