N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine

C13H16FNS — CID 145145065

IUPACN-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine
SMILESC/C=C(CSc1ccc(F)cc1)\N=C\CC
InChIInChI=1S/C13H16FNS/c1-3-9-15-12(4-2)10-16-13-7-5-11(14)6-8-13/h4-9H,3,10H2,1-2H3/b12-4-,15-9+
InChIKeyRHYDZZGTCHWDKT-HUROUGSJSA-N
MW237.34 g/mol
LogP4.30
Rot. Bonds5

About N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine

N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine (PubChem CID 145145065) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine
PubChem CID145145065
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC NameN-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine
SMILESC/C=C(CSc1ccc(F)cc1)\N=C\CC
InChIInChI=1S/C13H16FNS/c1-3-9-15-12(4-2)10-16-13-7-5-11(14)6-8-13/h4-9H,3,10H2,1-2H3/b12-4-,15-9+
InChIKeyRHYDZZGTCHWDKT-HUROUGSJSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine 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

(4-fluorophenyl) N-methylethanimidothioate
CID 143082602
(2-fluorophenyl) N-methylethanimidothioate
CID 153357217
3-(2,4-difluorophenyl)sulfanyl-3-fluoro-2H-pyridine
CID 173785514
(E)-2-[(2-fluorophenyl)sulfanylmethyl]-3-methyliminoprop-1-en-1-amine
CID 176707121
5-(benzenesulfinylmethyl)-3H-pyrrole
CID 58034217
N-tert-butyl-3-phenylsulfanylbutan-1-imine oxide
CID 60031437
N-tert-butyl-3-phenylsulfanylpropan-1-imine oxide
CID 60031442
N-tert-butyl-3-phenylsulfanylbutan-1-imine oxide
CID 72627423
N-tert-butyl-3-phenylsulfanylpropan-1-imine oxide
CID 72627426
N-tert-butyl-3-phenylsulfanylpropan-1-imine
CID 143037132
(E)-3-phenylsulfanyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 143728216
ethane;N-ethenyl-1-phenylsulfanylpropan-2-imine;prop-1-ene
CID 144317437

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine (CID 145145065) is N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine is C/C=C(CSc1ccc(F)cc1)\N=C\CC.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine?
The InChIKey is RHYDZZGTCHWDKT-HUROUGSJSA-N. The full InChI is InChI=1S/C13H16FNS/c1-3-9-15-12(4-2)10-16-13-7-5-11(14)6-8-13/h4-9H,3,10H2,1-2H3/b12-4-,15-9+.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine?
N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine has a molecular weight of 237.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine is sourced from PubChem (CID 145145065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).