ethylazanium;methanesulfonate

C3H11NO3S — CID 56927986

IUPACethylazanium;methanesulfonate
SMILESCC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyATWDUWYFCBVNET-UHFFFAOYSA-N
MW141.19 g/mol
LogP-1.59
Rot. Bonds

About ethylazanium;methanesulfonate

ethylazanium;methanesulfonate (PubChem CID 56927986) has the molecular formula C3H11NO3S and a molecular weight of 141.19 g/mol. Its IUPAC name is ethylazanium;methanesulfonate.

Molecular Properties

Compound Nameethylazanium;methanesulfonate
PubChem CID56927986
Molecular FormulaC3H11NO3S
Molecular Weight141.19 g/mol
Exact Mass141.05
IUPAC Nameethylazanium;methanesulfonate
SMILESCC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyATWDUWYFCBVNET-UHFFFAOYSA-N
XLogP-1.59
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(Methanesulfonylsulfanyl)ethan-1-amine hydrobromide
CID 24186135
2-Methylsulfonylsulfanylethanamine
CID 413295
Methanesulfonamide, 1-chloro-N-ethyl-
CID 171110
N-Ethylmethanesulfonamide
CID 5136276
N-propylmethanesulfonamide
CID 235967
N-(2-Iodoethyl)methanesulfonamide
CID 21344428
N-(2-aminoethyl)methanesulfonamide hydrochloride
CID 22609809
N-(2-Aminoethyl)methanesulfonamide
CID 533845
Ethylazanium;methyl-oxido-oxo-sulfanylidene-lambda6-sulfane
CID 21960988
1-Methylsulfonylsulfanylethanamine
CID 22174337
N-methylsulfonylsulfanylethanamine
CID 87551065
Butan-1-aminium methanesulfonate
CID 88442144

Frequently Asked Questions

What is the IUPAC name of ethylazanium;methanesulfonate?
The IUPAC name of ethylazanium;methanesulfonate (CID 56927986) is ethylazanium;methanesulfonate.
What is the SMILES notation for ethylazanium;methanesulfonate?
The canonical SMILES for ethylazanium;methanesulfonate is CC[NH3+].CS(=O)(=O)[O-].
What is the InChIKey of ethylazanium;methanesulfonate?
The InChIKey is ATWDUWYFCBVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CH4O3S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;1H3,(H,2,3,4).
What are the key properties of ethylazanium;methanesulfonate?
ethylazanium;methanesulfonate has a molecular weight of 141.19 g/mol, XLogP of -1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;methanesulfonate is sourced from PubChem (CID 56927986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).