methylamino(oxo)sulfanium

CH4NOS+ — CID 143990106

IUPACmethylamino(oxo)sulfanium
SMILESCN[S+]=O
InChIInChI=1S/CH4NOS/c1-2-4-3/h1H3,(H,2,3)/q+1
InChIKeyOYEBJJUSMQQRPE-UHFFFAOYSA-N
MW78.12 g/mol
LogP-0.45
Rot. Bonds1

About methylamino(oxo)sulfanium

methylamino(oxo)sulfanium (PubChem CID 143990106) has the molecular formula CH4NOS+ and a molecular weight of 78.12 g/mol. Its IUPAC name is methylamino(oxo)sulfanium.

Molecular Properties

Compound Namemethylamino(oxo)sulfanium
PubChem CID143990106
Molecular FormulaCH4NOS+
Molecular Weight78.12 g/mol
Exact Mass78.00
IUPAC Namemethylamino(oxo)sulfanium
SMILESCN[S+]=O
InChIInChI=1S/CH4NOS/c1-2-4-3/h1H3,(H,2,3)/q+1
InChIKeyOYEBJJUSMQQRPE-UHFFFAOYSA-N
XLogP-0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methylamino(oxo)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylamino(oxo)sulfanium?
The IUPAC name of methylamino(oxo)sulfanium (CID 143990106) is methylamino(oxo)sulfanium.
What is the SMILES notation for methylamino(oxo)sulfanium?
The canonical SMILES for methylamino(oxo)sulfanium is CN[S+]=O.
What is the InChIKey of methylamino(oxo)sulfanium?
The InChIKey is OYEBJJUSMQQRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NOS/c1-2-4-3/h1H3,(H,2,3)/q+1.
What are the key properties of methylamino(oxo)sulfanium?
methylamino(oxo)sulfanium has a molecular weight of 78.12 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino(oxo)sulfanium is sourced from PubChem (CID 143990106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).