dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium

C5H12NOS+ — CID 20662730

IUPACdimethyl-[2-(methylamino)-2-oxoethyl]sulfanium
SMILESCNC(=O)C[S+](C)C
InChIInChI=1S/C5H11NOS/c1-6-5(7)4-8(2)3/h4H2,1-3H3/p+1
InChIKeyBGOZKDGCFVNBDE-UHFFFAOYSA-O
MW134.22 g/mol
LogP-0.39
Rot. Bonds2

About dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium

dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium (PubChem CID 20662730) has the molecular formula C5H12NOS+ and a molecular weight of 134.22 g/mol. Its IUPAC name is dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[2-(methylamino)-2-oxoethyl]sulfanium
PubChem CID20662730
Molecular FormulaC5H12NOS+
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Namedimethyl-[2-(methylamino)-2-oxoethyl]sulfanium
SMILESCNC(=O)C[S+](C)C
InChIInChI=1S/C5H11NOS/c1-6-5(7)4-8(2)3/h4H2,1-3H3/p+1
InChIKeyBGOZKDGCFVNBDE-UHFFFAOYSA-O
XLogP-0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium?
The IUPAC name of dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium (CID 20662730) is dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium.
What is the SMILES notation for dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium?
The canonical SMILES for dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium is CNC(=O)C[S+](C)C.
What is the InChIKey of dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium?
The InChIKey is BGOZKDGCFVNBDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NOS/c1-6-5(7)4-8(2)3/h4H2,1-3H3/p+1.
What are the key properties of dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium?
dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium has a molecular weight of 134.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(methylamino)-2-oxoethyl]sulfanium is sourced from PubChem (CID 20662730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).