methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane

C19H26N2O4S2 — CID 98534556

IUPACmethylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane
SMILESCN=[S@](=O)(OCCCCCO[S@@](=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-20-26(22,18-12-6-3-7-13-18)24-16-10-5-11-17-25-27(23,21-2)19-14-8-4-9-15-19/h3-4,6-9,12-15H,5,10-11,16-17H2,1-2H3/t26-,27-/m1/s1
InChIKeyJTNZWVWUJVFTGX-KAYWLYCHSA-N
MW410.56 g/mol
LogP4.33
Rot. Bonds10

About methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane

methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane (PubChem CID 98534556) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namemethylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane
PubChem CID98534556
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Namemethylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane
SMILESCN=[S@](=O)(OCCCCCO[S@@](=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-20-26(22,18-12-6-3-7-13-18)24-16-10-5-11-17-25-27(23,21-2)19-14-8-4-9-15-19/h3-4,6-9,12-15H,5,10-11,16-17H2,1-2H3/t26-,27-/m1/s1
InChIKeyJTNZWVWUJVFTGX-KAYWLYCHSA-N
XLogP4.33
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane?
The IUPAC name of methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane (CID 98534556) is methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane?
The canonical SMILES for methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane is CN=[S@](=O)(OCCCCCO[S@@](=O)(=NC)c1ccccc1)c1ccccc1.
What is the InChIKey of methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane?
The InChIKey is JTNZWVWUJVFTGX-KAYWLYCHSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-20-26(22,18-12-6-3-7-13-18)24-16-10-5-11-17-25-27(23,21-2)19-14-8-4-9-15-19/h3-4,6-9,12-15H,5,10-11,16-17H2,1-2H3/t26-,27-/m1/s1.
What are the key properties of methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane?
methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane has a molecular weight of 410.56 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 98534556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).