2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane

C4H11NO2S — CID 58826086

IUPAC2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane
SMILES[3H]OS(=O)N([3H])CC(C)C
InChIInChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/i/hT2
InChIKeyUUBVQKGLZGFYLE-PWCQTSIFSA-N
MW141.22 g/mol
LogP0.37
Rot. Bonds4

About 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane

2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane (PubChem CID 58826086) has the molecular formula C4H11NO2S and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane.

Molecular Properties

Compound Name2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane
PubChem CID58826086
Molecular FormulaC4H11NO2S
Molecular Weight141.22 g/mol
Exact Mass141.07
IUPAC Name2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane
SMILES[3H]OS(=O)N([3H])CC(C)C
InChIInChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/i/hT2
InChIKeyUUBVQKGLZGFYLE-PWCQTSIFSA-N
XLogP0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane with MolForge

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

Launch Full Analysis

Related Compounds

Butylsulfamic acid
CID 3628384
Propylsulfamic acid
CID 14979915
(2-Methylpropyl)sulfamyl chloride
CID 21560708
2,2-Dimethylpropylsulfamic acid
CID 54200775
(1-Fluoro-2-methylpropyl)sulfamic acid
CID 57000789
2-methyl-N-(methylsulfamoyl)propan-1-amine
CID 84282192
Butan-1-amine;sulfurous acid
CID 12199054
2-Methylpropylsulfamic acid
CID 15847245
1-(Sulfinoamino)butane
CID 17907453
1-(Sulfinoamino)propane
CID 18668240
2-Methylpropan-1-amine;sulfurous acid
CID 20488231
3-Methylbutan-2-ylsulfamic acid
CID 21497858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane?
The IUPAC name of 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane (CID 58826086) is 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane.
What is the SMILES notation for 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane?
The canonical SMILES for 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane is [3H]OS(=O)N([3H])CC(C)C.
What is the InChIKey of 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane?
The InChIKey is UUBVQKGLZGFYLE-PWCQTSIFSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/i/hT2.
What are the key properties of 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane?
2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane has a molecular weight of 141.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[tritio(tritiooxysulfinyl)amino]propane is sourced from PubChem (CID 58826086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).