[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane

C16H23NOS — CID 10683958

IUPAC[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=S(=O)(C/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NOS/c1-17-19(18,16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h3,6-8,11-13,15H,2,4-5,9-10,14H2,1H3/b11-8+
InChIKeyMHFQKHKKERFOJH-DHZHZOJOSA-N
MW277.43 g/mol
LogP4.28
Rot. Bonds4

About [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane

[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane (PubChem CID 10683958) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
PubChem CID10683958
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
SMILESCN=S(=O)(C/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NOS/c1-17-19(18,16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h3,6-8,11-13,15H,2,4-5,9-10,14H2,1H3/b11-8+
InChIKeyMHFQKHKKERFOJH-DHZHZOJOSA-N
XLogP4.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane (CID 10683958) is [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane is CN=S(=O)(C/C=C/C1CCCCC1)c1ccccc1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The InChIKey is MHFQKHKKERFOJH-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17-19(18,16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h3,6-8,11-13,15H,2,4-5,9-10,14H2,1H3/b11-8+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane has a molecular weight of 277.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 10683958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).