but-3-enylimino-oxo-diphenyl-lambda6-sulfane

C16H17NOS — CID 3841078

IUPACbut-3-enylimino-oxo-diphenyl-lambda6-sulfane
SMILESC=CCCN=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-2-3-14-17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14H2
InChIKeyQRMGHAUWBXXBTD-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.15
Rot. Bonds5

About but-3-enylimino-oxo-diphenyl-lambda6-sulfane

but-3-enylimino-oxo-diphenyl-lambda6-sulfane (PubChem CID 3841078) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is but-3-enylimino-oxo-diphenyl-lambda6-sulfane.

Molecular Properties

Compound Namebut-3-enylimino-oxo-diphenyl-lambda6-sulfane
PubChem CID3841078
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Namebut-3-enylimino-oxo-diphenyl-lambda6-sulfane
SMILESC=CCCN=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-2-3-14-17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14H2
InChIKeyQRMGHAUWBXXBTD-UHFFFAOYSA-N
XLogP4.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-3-enyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
CID 102351815
ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
CID 102292160
2-(benzenesulfonyl)hex-5-enenitrile
CID 10263483
2-(benzenesulfonyl)hept-6-enenitrile
CID 10243798
1-chlorohex-5-enylsulfonylbenzene
CID 14785129
hex-3-ynyl-oxo-pent-4-enylimino-phenyl-λ6-sulfane
CID 135015960
sodium;benzenesulfonic acid;dodec-1-ene
CID 87233475
1-(benzenesulfonyl)hept-6-enylgermane
CID 175532573
(113C)ethenylsulfonylbenzene
CID 66995821
cerium;prop-2-enyl benzenesulfonate
CID 174496226
ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane
CID 102292168
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064

Frequently Asked Questions

What is the IUPAC name of but-3-enylimino-oxo-diphenyl-lambda6-sulfane?
The IUPAC name of but-3-enylimino-oxo-diphenyl-lambda6-sulfane (CID 3841078) is but-3-enylimino-oxo-diphenyl-lambda6-sulfane.
What is the SMILES notation for but-3-enylimino-oxo-diphenyl-lambda6-sulfane?
The canonical SMILES for but-3-enylimino-oxo-diphenyl-lambda6-sulfane is C=CCCN=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-enylimino-oxo-diphenyl-lambda6-sulfane?
The InChIKey is QRMGHAUWBXXBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-3-14-17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2,4-13H,1,3,14H2.
What are the key properties of but-3-enylimino-oxo-diphenyl-lambda6-sulfane?
but-3-enylimino-oxo-diphenyl-lambda6-sulfane has a molecular weight of 271.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylimino-oxo-diphenyl-lambda6-sulfane is sourced from PubChem (CID 3841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).