2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane

C57H109Br4ClN6O6S6Si — CID 158276047

IUPAC2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane
SMILESC.C=C(NCCSSC(C)(C)C)C(C)Cl.CC(Br)C(=O)NCCSSC(C)(C)C.CC(C)(Br)C(=O)Nc1ccccc1.CC(C)(C)C(=O)NCCCO[Si](C)(C)CCCNC(=O)C(C)(C)Br.CC(C)(C)SSCCNC(=O)C(C)(C)Br
InChIInChI=1S/C17H35BrN2O3Si.C10H20BrNOS2.C10H12BrNO.C10H20ClNS2.C9H18BrNOS2.CH4/c1-16(2,3)14(21)19-10-8-12-23-24(6,7)13-9-11-20-15(22)17(4,5)18;1-9(2,3)15-14-7-6-12-8(13)10(4,5)11;1-10(2,11)9(13)12-8-6-4-3-5-7-8;1-8(11)9(2)12-6-7-13-14-10(3,4)5;1-7(10)8(12)11-5-6-13-14-9(2,3)4;/h8-13H2,1-7H3,(H,19,21)(H,20,22);6-7H2,1-5H3,(H,12,13);3-7H,1-2H3,(H,12,13);8,12H,2,6-7H2,1,3-5H3;7H,5-6H2,1-4H3,(H,11,12);1H4
InChIKeyGJPQVNFKCMZQND-UHFFFAOYSA-N
MW1550.09 g/mol
LogP17.29
Rot. Bonds28

About 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane

2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane (PubChem CID 158276047) has the molecular formula C57H109Br4ClN6O6S6Si and a molecular weight of 1550.09 g/mol. Its IUPAC name is 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane.

Molecular Properties

Compound Name2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane
PubChem CID158276047
Molecular FormulaC57H109Br4ClN6O6S6Si
Molecular Weight1550.09 g/mol
Exact Mass1544.29
IUPAC Name2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane
SMILESC.C=C(NCCSSC(C)(C)C)C(C)Cl.CC(Br)C(=O)NCCSSC(C)(C)C.CC(C)(Br)C(=O)Nc1ccccc1.CC(C)(C)C(=O)NCCCO[Si](C)(C)CCCNC(=O)C(C)(C)Br.CC(C)(C)SSCCNC(=O)C(C)(C)Br
InChIInChI=1S/C17H35BrN2O3Si.C10H20BrNOS2.C10H12BrNO.C10H20ClNS2.C9H18BrNOS2.CH4/c1-16(2,3)14(21)19-10-8-12-23-24(6,7)13-9-11-20-15(22)17(4,5)18;1-9(2,3)15-14-7-6-12-8(13)10(4,5)11;1-10(2,11)9(13)12-8-6-4-3-5-7-8;1-8(11)9(2)12-6-7-13-14-10(3,4)5;1-7(10)8(12)11-5-6-13-14-9(2,3)4;/h8-13H2,1-7H3,(H,19,21)(H,20,22);6-7H2,1-5H3,(H,12,13);3-7H,1-2H3,(H,12,13);8,12H,2,6-7H2,1,3-5H3;7H,5-6H2,1-4H3,(H,11,12);1H4
InChIKeyGJPQVNFKCMZQND-UHFFFAOYSA-N
XLogP17.29
TPSA166.76 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001550.09
LogP ≤ 517.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane?
The IUPAC name of 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane (CID 158276047) is 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane.
What is the SMILES notation for 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane?
The canonical SMILES for 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane is C.C=C(NCCSSC(C)(C)C)C(C)Cl.CC(Br)C(=O)NCCSSC(C)(C)C.CC(C)(Br)C(=O)Nc1ccccc1.CC(C)(C)C(=O)NCCCO[Si](C)(C)CCCNC(=O)C(C)(C)Br.CC(C)(C)SSCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane?
The InChIKey is GJPQVNFKCMZQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35BrN2O3Si.C10H20BrNOS2.C10H12BrNO.C10H20ClNS2.C9H18BrNOS2.CH4/c1-16(2,3)14(21)19-10-8-12-23-24(6,7)13-9-11-20-15(22)17(4,5)18;1-9(2,3)15-14-7-6-12-8(13)10(4,5)11;1-10(2,11)9(13)12-8-6-4-3-5-7-8;1-8(11)9(2)12-6-7-13-14-10(3,4)5;1-7(10)8(12)11-5-6-13-14-9(2,3)4;/h8-13H2,1-7H3,(H,19,21)(H,20,22);6-7H2,1-5H3,(H,12,13);3-7H,1-2H3,(H,12,13);8,12H,2,6-7H2,1,3-5H3;7H,5-6H2,1-4H3,(H,11,12);1H4.
What are the key properties of 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane?
2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane has a molecular weight of 1550.09 g/mol, XLogP of 17.29, 28 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]-2-methylpropanamide;2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide;2-bromo-2-methyl-N-phenylpropanamide;N-[3-[3-[(2-bromo-2-methylpropanoyl)amino]propyl-dimethylsilyl]oxypropyl]-2,2-dimethylpropanamide;N-[2-(tert-butyldisulfanyl)ethyl]-3-chlorobut-1-en-2-amine;methane is sourced from PubChem (CID 158276047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).