2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide

C12H24N4O2S2 — CID 21397036

IUPAC2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NCCS)C(=O)NCCS
InChIInChI=1S/C12H24N4O2S2/c1-11(2,9(17)13-5-7-19)15-16-12(3,4)10(18)14-6-8-20/h19-20H,5-8H2,1-4H3,(H,13,17)(H,14,18)/b16-15+
InChIKeyDAOQQZFRSZSDDD-FOCLMDBBSA-N
MW320.48 g/mol
LogP1.09
Rot. Bonds8

About 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide

2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide (PubChem CID 21397036) has the molecular formula C12H24N4O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
PubChem CID21397036
Molecular FormulaC12H24N4O2S2
Molecular Weight320.48 g/mol
Exact Mass320.13
IUPAC Name2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NCCS)C(=O)NCCS
InChIInChI=1S/C12H24N4O2S2/c1-11(2,9(17)13-5-7-19)15-16-12(3,4)10(18)14-6-8-20/h19-20H,5-8H2,1-4H3,(H,13,17)(H,14,18)/b16-15+
InChIKeyDAOQQZFRSZSDDD-FOCLMDBBSA-N
XLogP1.09
TPSA82.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide (CID 21397036) is 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide is CC(C)(/N=N/C(C)(C)C(=O)NCCS)C(=O)NCCS.
What is the InChIKey of 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide?
The InChIKey is DAOQQZFRSZSDDD-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H24N4O2S2/c1-11(2,9(17)13-5-7-19)15-16-12(3,4)10(18)14-6-8-20/h19-20H,5-8H2,1-4H3,(H,13,17)(H,14,18)/b16-15+.
What are the key properties of 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide?
2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide has a molecular weight of 320.48 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 21397036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).