2-methylsulfonylethylazanium

C3H10NO2S+ — CID 7010004

IUPAC2-methylsulfonylethylazanium
SMILESCS(=O)(=O)CC[NH3+]
InChIInChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3/p+1
InChIKeySDNXQWUJWNTDCC-UHFFFAOYSA-O
MW124.19 g/mol
LogP-1.73
Rot. Bonds2

About 2-methylsulfonylethylazanium

2-methylsulfonylethylazanium (PubChem CID 7010004) has the molecular formula C3H10NO2S+ and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methylsulfonylethylazanium.

Molecular Properties

Compound Name2-methylsulfonylethylazanium
PubChem CID7010004
Molecular FormulaC3H10NO2S+
Molecular Weight124.19 g/mol
Exact Mass124.04
IUPAC Name2-methylsulfonylethylazanium
SMILESCS(=O)(=O)CC[NH3+]
InChIInChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3/p+1
InChIKeySDNXQWUJWNTDCC-UHFFFAOYSA-O
XLogP-1.73
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 ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethylazanium?
The IUPAC name of 2-methylsulfonylethylazanium (CID 7010004) is 2-methylsulfonylethylazanium.
What is the SMILES notation for 2-methylsulfonylethylazanium?
The canonical SMILES for 2-methylsulfonylethylazanium is CS(=O)(=O)CC[NH3+].
What is the InChIKey of 2-methylsulfonylethylazanium?
The InChIKey is SDNXQWUJWNTDCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3/p+1.
What are the key properties of 2-methylsulfonylethylazanium?
2-methylsulfonylethylazanium has a molecular weight of 124.19 g/mol, XLogP of -1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethylazanium is sourced from PubChem (CID 7010004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).