ethylsulfonylmethylazanium

C3H10NO2S+ — CID 153320610

IUPACethylsulfonylmethylazanium
SMILESCCS(=O)(=O)C[NH3+]
InChIInChI=1S/C3H9NO2S/c1-2-7(5,6)3-4/h2-4H2,1H3/p+1
InChIKeyKJGNOKLLFGVCHC-UHFFFAOYSA-O
MW124.19 g/mol
LogP-1.38
Rot. Bonds2

About ethylsulfonylmethylazanium

ethylsulfonylmethylazanium (PubChem CID 153320610) has the molecular formula C3H10NO2S+ and a molecular weight of 124.19 g/mol. Its IUPAC name is ethylsulfonylmethylazanium.

Molecular Properties

Compound Nameethylsulfonylmethylazanium
PubChem CID153320610
Molecular FormulaC3H10NO2S+
Molecular Weight124.19 g/mol
Exact Mass124.04
IUPAC Nameethylsulfonylmethylazanium
SMILESCCS(=O)(=O)C[NH3+]
InChIInChI=1S/C3H9NO2S/c1-2-7(5,6)3-4/h2-4H2,1H3/p+1
InChIKeyKJGNOKLLFGVCHC-UHFFFAOYSA-O
XLogP-1.38
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfonylethane;sulfur trioxide
CID 159641357
1-ethylsulfonylethane;methoxymethane
CID 174793539
1-propylsulfonylpropane
CID 11709
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
acetonitrile;1-ethylsulfonylethane
CID 158338907
1,6-bis(ethylsulfonyl)hexane
CID 54565943
butylazanium;sulfate
CID 86618199
CID 169428164
CID 169428164
1,1-dibromo-1-(tribromomethylsulfonyl)butane
CID 23556576
1-ethylsulfonylethane;1,3,5-triazine
CID 160830785

Frequently Asked Questions

What is the IUPAC name of ethylsulfonylmethylazanium?
The IUPAC name of ethylsulfonylmethylazanium (CID 153320610) is ethylsulfonylmethylazanium.
What is the SMILES notation for ethylsulfonylmethylazanium?
The canonical SMILES for ethylsulfonylmethylazanium is CCS(=O)(=O)C[NH3+].
What is the InChIKey of ethylsulfonylmethylazanium?
The InChIKey is KJGNOKLLFGVCHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO2S/c1-2-7(5,6)3-4/h2-4H2,1H3/p+1.
What are the key properties of ethylsulfonylmethylazanium?
ethylsulfonylmethylazanium has a molecular weight of 124.19 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonylmethylazanium is sourced from PubChem (CID 153320610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).