N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine

C10H13NS — CID 167295151

IUPACN-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
SMILESC=C/C=C1\CSC=C(/N=C/C)C1
InChIInChI=1S/C10H13NS/c1-3-5-9-6-10(11-4-2)8-12-7-9/h3-5,8H,1,6-7H2,2H3/b9-5-,11-4+
InChIKeyFJIFKDJEYJPSRS-KNHGBTASSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds2

About N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine

N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine (PubChem CID 167295151) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
PubChem CID167295151
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
SMILESC=C/C=C1\CSC=C(/N=C/C)C1
InChIInChI=1S/C10H13NS/c1-3-5-9-6-10(11-4-2)8-12-7-9/h3-5,8H,1,6-7H2,2H3/b9-5-,11-4+
InChIKeyFJIFKDJEYJPSRS-KNHGBTASSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine?
The IUPAC name of N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine (CID 167295151) is N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine.
What is the SMILES notation for N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine?
The canonical SMILES for N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine is C=C/C=C1\CSC=C(/N=C/C)C1.
What is the InChIKey of N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine?
The InChIKey is FJIFKDJEYJPSRS-KNHGBTASSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-5-9-6-10(11-4-2)8-12-7-9/h3-5,8H,1,6-7H2,2H3/b9-5-,11-4+.
What are the key properties of N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine?
N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine has a molecular weight of 179.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine is sourced from PubChem (CID 167295151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).