2-methyl-2-(methylsulfanylsulfonylamino)propane

C5H13NO2S2 — CID 123267271

IUPAC2-methyl-2-(methylsulfanylsulfonylamino)propane
SMILESCSS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C5H13NO2S2/c1-5(2,3)6-10(7,8)9-4/h6H,1-4H3
InChIKeyQBZSUATWTYYHEH-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.98
Rot. Bonds2

About 2-methyl-2-(methylsulfanylsulfonylamino)propane

2-methyl-2-(methylsulfanylsulfonylamino)propane (PubChem CID 123267271) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfanylsulfonylamino)propane.

Molecular Properties

Compound Name2-methyl-2-(methylsulfanylsulfonylamino)propane
PubChem CID123267271
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC Name2-methyl-2-(methylsulfanylsulfonylamino)propane
SMILESCSS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C5H13NO2S2/c1-5(2,3)6-10(7,8)9-4/h6H,1-4H3
InChIKeyQBZSUATWTYYHEH-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfanylsulfonylamino)propane?
The IUPAC name of 2-methyl-2-(methylsulfanylsulfonylamino)propane (CID 123267271) is 2-methyl-2-(methylsulfanylsulfonylamino)propane.
What is the SMILES notation for 2-methyl-2-(methylsulfanylsulfonylamino)propane?
The canonical SMILES for 2-methyl-2-(methylsulfanylsulfonylamino)propane is CSS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-methyl-2-(methylsulfanylsulfonylamino)propane?
The InChIKey is QBZSUATWTYYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-5(2,3)6-10(7,8)9-4/h6H,1-4H3.
What are the key properties of 2-methyl-2-(methylsulfanylsulfonylamino)propane?
2-methyl-2-(methylsulfanylsulfonylamino)propane has a molecular weight of 183.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfanylsulfonylamino)propane is sourced from PubChem (CID 123267271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).