2-methylsulfinylethylazanium

C3H10NOS+ — CID 7023252

IUPAC2-methylsulfinylethylazanium
SMILESCS(=O)CC[NH3+]
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1
InChIKeyPGAOVVJJOXMLCQ-UHFFFAOYSA-O
MW108.19 g/mol
LogP-1.39
Rot. Bonds2

About 2-methylsulfinylethylazanium

2-methylsulfinylethylazanium (PubChem CID 7023252) has the molecular formula C3H10NOS+ and a molecular weight of 108.19 g/mol. Its IUPAC name is 2-methylsulfinylethylazanium.

Molecular Properties

Compound Name2-methylsulfinylethylazanium
PubChem CID7023252
Molecular FormulaC3H10NOS+
Molecular Weight108.19 g/mol
Exact Mass108.05
IUPAC Name2-methylsulfinylethylazanium
SMILESCS(=O)CC[NH3+]
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1
InChIKeyPGAOVVJJOXMLCQ-UHFFFAOYSA-O
XLogP-1.39
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylethylazanium?
The IUPAC name of 2-methylsulfinylethylazanium (CID 7023252) is 2-methylsulfinylethylazanium.
What is the SMILES notation for 2-methylsulfinylethylazanium?
The canonical SMILES for 2-methylsulfinylethylazanium is CS(=O)CC[NH3+].
What is the InChIKey of 2-methylsulfinylethylazanium?
The InChIKey is PGAOVVJJOXMLCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1.
What are the key properties of 2-methylsulfinylethylazanium?
2-methylsulfinylethylazanium has a molecular weight of 108.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylethylazanium is sourced from PubChem (CID 7023252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).