2-(ethylamino)ethyl methanesulfonate

C5H13NO3S — CID 89142204

IUPAC2-(ethylamino)ethyl methanesulfonate
SMILESCCNCCOS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-3-6-4-5-9-10(2,7)8/h6H,3-5H2,1-2H3
InChIKeyKXGXAOPBRVVPSB-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About 2-(ethylamino)ethyl methanesulfonate

2-(ethylamino)ethyl methanesulfonate (PubChem CID 89142204) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(ethylamino)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(ethylamino)ethyl methanesulfonate
PubChem CID89142204
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-(ethylamino)ethyl methanesulfonate
SMILESCCNCCOS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-3-6-4-5-9-10(2,7)8/h6H,3-5H2,1-2H3
InChIKeyKXGXAOPBRVVPSB-UHFFFAOYSA-N
XLogP-0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
CID 6336301
2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine
CID 123907659
3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate;hydrochloride
CID 5284401
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
N-ethyl-3-methylsulfonylbutan-1-amine
CID 143593349
ethanamine;propyl methanesulfonate
CID 91463182
9-(methylamino)nonyl methanesulfonate
CID 122424861
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 177329395
CID 177329395
2-(ethylamino)ethyl hypofluorite
CID 87274777

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl methanesulfonate?
The IUPAC name of 2-(ethylamino)ethyl methanesulfonate (CID 89142204) is 2-(ethylamino)ethyl methanesulfonate.
What is the SMILES notation for 2-(ethylamino)ethyl methanesulfonate?
The canonical SMILES for 2-(ethylamino)ethyl methanesulfonate is CCNCCOS(C)(=O)=O.
What is the InChIKey of 2-(ethylamino)ethyl methanesulfonate?
The InChIKey is KXGXAOPBRVVPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-6-4-5-9-10(2,7)8/h6H,3-5H2,1-2H3.
What are the key properties of 2-(ethylamino)ethyl methanesulfonate?
2-(ethylamino)ethyl methanesulfonate has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl methanesulfonate is sourced from PubChem (CID 89142204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).