cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane

C24H32N2O2S2 — CID 25037615

IUPACcyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane
SMILESO=[S@](=NCCN=[S@@](=O)(c1ccccc1)C1CCCC1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H32N2O2S2/c27-29(23-15-7-8-16-23,21-11-3-1-4-12-21)25-19-20-26-30(28,24-17-9-10-18-24)22-13-5-2-6-14-22/h1-6,11-14,23-24H,7-10,15-20H2/t29-,30-/m1/s1
InChIKeyNCYJQUQBZPCVFV-LOYHVIPDSA-N
MW444.67 g/mol
LogP5.93
Rot. Bonds7

About cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane

cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane (PubChem CID 25037615) has the molecular formula C24H32N2O2S2 and a molecular weight of 444.67 g/mol. Its IUPAC name is cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane
PubChem CID25037615
Molecular FormulaC24H32N2O2S2
Molecular Weight444.67 g/mol
Exact Mass444.19
IUPAC Namecyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane
SMILESO=[S@](=NCCN=[S@@](=O)(c1ccccc1)C1CCCC1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H32N2O2S2/c27-29(23-15-7-8-16-23,21-11-3-1-4-12-21)25-19-20-26-30(28,24-17-9-10-18-24)22-13-5-2-6-14-22/h1-6,11-14,23-24H,7-10,15-20H2/t29-,30-/m1/s1
InChIKeyNCYJQUQBZPCVFV-LOYHVIPDSA-N
XLogP5.93
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane with MolForge

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Related Compounds

N-[[(cyclohexyl-oxo-phenyl-λ6-sulfanylidene)amino]methyl]-N-ethylethanamine;N-ethyl-N-methylethanamine;hydroiodide
CID 173451095
cyclohexylsulfonylmethylsulfonylbenzene
CID 141082573
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide
CID 162396872
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
CID 155764700
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
(3-fluorocyclohexyl)sulfonylbenzene
CID 66796259
2,2-bis(benzenesulfonyl)ethylcyclooctane
CID 132937122
cyclooctyl benzenesulfonate
CID 89439910
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-[2-(cyclopentylsulfonylmethyl)phenyl]acetic acid
CID 113314460

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane?
The IUPAC name of cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane (CID 25037615) is cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane?
The canonical SMILES for cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane is O=[S@](=NCCN=[S@@](=O)(c1ccccc1)C1CCCC1)(c1ccccc1)C1CCCC1.
What is the InChIKey of cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane?
The InChIKey is NCYJQUQBZPCVFV-LOYHVIPDSA-N. The full InChI is InChI=1S/C24H32N2O2S2/c27-29(23-15-7-8-16-23,21-11-3-1-4-12-21)25-19-20-26-30(28,24-17-9-10-18-24)22-13-5-2-6-14-22/h1-6,11-14,23-24H,7-10,15-20H2/t29-,30-/m1/s1.
What are the key properties of cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane?
cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane has a molecular weight of 444.67 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 25037615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).