(3-amino-3-oxopropyl)-dimethylsulfanium

C5H12NOS+ — CID 10756989

IUPAC(3-amino-3-oxopropyl)-dimethylsulfanium
SMILESC[S+](C)CCC(N)=O
InChIInChI=1S/C5H11NOS/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H-,6,7)/p+1
InChIKeyMTKWBSIVAMWGOY-UHFFFAOYSA-O
MW134.22 g/mol
LogP-0.26
Rot. Bonds3

About (3-amino-3-oxopropyl)-dimethylsulfanium

(3-amino-3-oxopropyl)-dimethylsulfanium (PubChem CID 10756989) has the molecular formula C5H12NOS+ and a molecular weight of 134.22 g/mol. Its IUPAC name is (3-amino-3-oxopropyl)-dimethylsulfanium.

Molecular Properties

Compound Name(3-amino-3-oxopropyl)-dimethylsulfanium
PubChem CID10756989
Molecular FormulaC5H12NOS+
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Name(3-amino-3-oxopropyl)-dimethylsulfanium
SMILESC[S+](C)CCC(N)=O
InChIInChI=1S/C5H11NOS/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H-,6,7)/p+1
InChIKeyMTKWBSIVAMWGOY-UHFFFAOYSA-O
XLogP-0.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-amino-3-oxopropyl)-dimethylsulfanium 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 (3-amino-3-oxopropyl)-dimethylsulfanium?
The IUPAC name of (3-amino-3-oxopropyl)-dimethylsulfanium (CID 10756989) is (3-amino-3-oxopropyl)-dimethylsulfanium.
What is the SMILES notation for (3-amino-3-oxopropyl)-dimethylsulfanium?
The canonical SMILES for (3-amino-3-oxopropyl)-dimethylsulfanium is C[S+](C)CCC(N)=O.
What is the InChIKey of (3-amino-3-oxopropyl)-dimethylsulfanium?
The InChIKey is MTKWBSIVAMWGOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NOS/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H-,6,7)/p+1.
What are the key properties of (3-amino-3-oxopropyl)-dimethylsulfanium?
(3-amino-3-oxopropyl)-dimethylsulfanium has a molecular weight of 134.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl)-dimethylsulfanium is sourced from PubChem (CID 10756989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).