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

C4H11NO2S — CID 59303268

IUPAC2-methyl-1-[tritio(tritiosulfonyl)amino]propane
SMILES[3H]N(CC(C)C)S([3H])(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4,8H,3H2,1-2H3,(H,5,6,7)/i8T/hT
InChIKeyQJCXNZZNOXFVHM-CKTOOMJTSA-N
MW141.22 g/mol
LogP-0.24
Rot. Bonds3

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

2-methyl-1-[tritio(tritiosulfonyl)amino]propane (PubChem CID 59303268) has the molecular formula C4H11NO2S and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-methyl-1-[tritio(tritiosulfonyl)amino]propane.

Molecular Properties

Compound Name2-methyl-1-[tritio(tritiosulfonyl)amino]propane
PubChem CID59303268
Molecular FormulaC4H11NO2S
Molecular Weight141.22 g/mol
Exact Mass141.07
IUPAC Name2-methyl-1-[tritio(tritiosulfonyl)amino]propane
SMILES[3H]N(CC(C)C)S([3H])(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4,8H,3H2,1-2H3,(H,5,6,7)/i8T/hT
InChIKeyQJCXNZZNOXFVHM-CKTOOMJTSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[tritio(tritiosulfonyl)amino]propane?
The IUPAC name of 2-methyl-1-[tritio(tritiosulfonyl)amino]propane (CID 59303268) is 2-methyl-1-[tritio(tritiosulfonyl)amino]propane.
What is the SMILES notation for 2-methyl-1-[tritio(tritiosulfonyl)amino]propane?
The canonical SMILES for 2-methyl-1-[tritio(tritiosulfonyl)amino]propane is [3H]N(CC(C)C)S([3H])(=O)=O.
What is the InChIKey of 2-methyl-1-[tritio(tritiosulfonyl)amino]propane?
The InChIKey is QJCXNZZNOXFVHM-CKTOOMJTSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(2)3-5-8(6)7/h4,8H,3H2,1-2H3,(H,5,6,7)/i8T/hT.
What are the key properties of 2-methyl-1-[tritio(tritiosulfonyl)amino]propane?
2-methyl-1-[tritio(tritiosulfonyl)amino]propane has a molecular weight of 141.22 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[tritio(tritiosulfonyl)amino]propane is sourced from PubChem (CID 59303268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).