2-aminoethyl methanesulfonate

C3H9NO3S — CID 11579140

IUPAC2-aminoethyl methanesulfonate
SMILESCS(=O)(=O)OCCN
InChIInChI=1S/C3H9NO3S/c1-8(5,6)7-3-2-4/h2-4H2,1H3
InChIKeyIDGZUFFQKAIBOP-UHFFFAOYSA-N
MW139.18 g/mol
LogP-1.08
Rot. Bonds3

About 2-aminoethyl methanesulfonate

2-aminoethyl methanesulfonate (PubChem CID 11579140) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-aminoethyl methanesulfonate.

Molecular Properties

Compound Name2-aminoethyl methanesulfonate
PubChem CID11579140
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Name2-aminoethyl methanesulfonate
SMILESCS(=O)(=O)OCCN
InChIInChI=1S/C3H9NO3S/c1-8(5,6)7-3-2-4/h2-4H2,1H3
InChIKeyIDGZUFFQKAIBOP-UHFFFAOYSA-N
XLogP-1.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.08
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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Related Compounds

Mtsea
CID 53443082
N-(2-methoxyethyl)methanesulfonamide
CID 3522477
N-(2-hydroxyethyl)methanesulfonamide
CID 11389425
Ethyl 2-aminoethanesulfonate
CID 19785730
Methanesulfonothioicacid, S-(2-aminoethyl) ester, hydrobromide (1:1)
CID 53443081
3-Aminopropyl methanesulfonate
CID 82345178
(2R)-2-Azaniumylpropyl methanesulfonate chloride
CID 139087652
Aminoethyl methanethiolsulfonate
CID 129628321
2-Aminoethyl methanethiolsulfonate hydrobromide
CID 129777222
2-Aminoethanol;methanesulfonic acid
CID 11586334
2-Aminopropyl methanesulfonate
CID 14427187
(S)-2-aminopropyl methanesulfonate
CID 14427188

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl methanesulfonate?
The IUPAC name of 2-aminoethyl methanesulfonate (CID 11579140) is 2-aminoethyl methanesulfonate.
What is the SMILES notation for 2-aminoethyl methanesulfonate?
The canonical SMILES for 2-aminoethyl methanesulfonate is CS(=O)(=O)OCCN.
What is the InChIKey of 2-aminoethyl methanesulfonate?
The InChIKey is IDGZUFFQKAIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-8(5,6)7-3-2-4/h2-4H2,1H3.
What are the key properties of 2-aminoethyl methanesulfonate?
2-aminoethyl methanesulfonate has a molecular weight of 139.18 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl methanesulfonate is sourced from PubChem (CID 11579140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).