2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine

C24H55NO4S2 — CID 165038422

IUPAC2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
SMILESCC(C)(C)N(O)C(C)(C)C.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H19NO.C8H18O2S.C8H18OS/c1-7(2,3)9(10)8(4,5)6;1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6/h10H,1-6H3;1-6H3;1-6H3
InChIKeyNSYZUQQVEYLHCS-UHFFFAOYSA-N
MW485.84 g/mol
LogP6.60
Rot. Bonds

About 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine (PubChem CID 165038422) has the molecular formula C24H55NO4S2 and a molecular weight of 485.84 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
PubChem CID165038422
Molecular FormulaC24H55NO4S2
Molecular Weight485.84 g/mol
Exact Mass485.36
IUPAC Name2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
SMILESCC(C)(C)N(O)C(C)(C)C.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H19NO.C8H18O2S.C8H18OS/c1-7(2,3)9(10)8(4,5)6;1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6/h10H,1-6H3;1-6H3;1-6H3
InChIKeyNSYZUQQVEYLHCS-UHFFFAOYSA-N
XLogP6.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.84
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
CID 161376368
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane;methoxymethane;methylsulfanylmethane;propane
CID 161267370
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
CID 162046049
2-tert-butylsulfonyl-2,3,3-trimethylbutane
CID 58548756
N-(tert-butylsulfonimidoyl)-N,2-dimethylpropan-2-amine
CID 164656002
N,N'-ditert-butyl-2-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]-3-[(E)-[tert-butyl(oxido)azaniumylidene]methyl]-2,3-bis(tert-butylsulfonyl)butane-1,4-diimine oxide
CID 45045163
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2-hydroxypropan-2-yl hydrogen sulfate
CID 57168677
1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid
CID 20539955
2-fluorobutan-2-yl hydrogen sulfate
CID 87625275
2-[tert-butyl(2-ethylsulfonylethyl)amino]acetamide
CID 71849598
2-hydroxybutan-2-yl hydrogen sulfate;methanamine
CID 174633946

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine?
The IUPAC name of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine (CID 165038422) is 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine.
What is the SMILES notation for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine?
The canonical SMILES for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine is CC(C)(C)N(O)C(C)(C)C.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine?
The InChIKey is NSYZUQQVEYLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C8H18O2S.C8H18OS/c1-7(2,3)9(10)8(4,5)6;1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6/h10H,1-6H3;1-6H3;1-6H3.
What are the key properties of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine?
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine has a molecular weight of 485.84 g/mol, XLogP of 6.60, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine is sourced from PubChem (CID 165038422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).