cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane

C14H19NOS — CID 10682090

IUPACcyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=S(=O)(CC1=CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NOS/c1-15-17(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h3,6-8,10-11H,2,4-5,9,12H2,1H3
InChIKeyGEBIFRBPXMROJH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.64
Rot. Bonds3

About cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane

cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane (PubChem CID 10682090) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane
PubChem CID10682090
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Namecyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=S(=O)(CC1=CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NOS/c1-15-17(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h3,6-8,10-11H,2,4-5,9,12H2,1H3
InChIKeyGEBIFRBPXMROJH-UHFFFAOYSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-S,S-diphenylsulfoximine
CID 374284
Ethylphenylsulfoxide
CID 138143
Ethyl(imino)(4-methylphenyl)-lambda6-sulfanone
CID 571681
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
Methyl(methylimino)(phenyl)-lambda6-sulfanone
CID 519772
(Allylsulphinyl)benzene
CID 87928
Tert-butyl phenyl sulfoxide
CID 138141
Propan-2-ylsulfinylbenzene
CID 330158
(Propylsulfinyl)benzene
CID 778847
(Octane-2-sulfonyl)-benzene
CID 4049028
Ethyl(imino)phenyl-lambda6-sulfanone
CID 12463935
Cyclohexylmethyl phenylsulfoxide
CID 12865196

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane?
The IUPAC name of cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane (CID 10682090) is cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane is CN=S(=O)(CC1=CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane?
The InChIKey is GEBIFRBPXMROJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-15-17(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h3,6-8,10-11H,2,4-5,9,12H2,1H3.
What are the key properties of cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane?
cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane has a molecular weight of 249.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl-methylimino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 10682090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).