N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine

C9H13NS — CID 145188480

IUPACN-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
SMILESC=CC1=C(N=C)C(C)CSC1
InChIInChI=1S/C9H13NS/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7H,1,3,5-6H2,2H3
InChIKeyUJWDKAOROGUWSQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.51
Rot. Bonds2

About N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine

N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine (PubChem CID 145188480) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
PubChem CID145188480
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
SMILESC=CC1=C(N=C)C(C)CSC1
InChIInChI=1S/C9H13NS/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7H,1,3,5-6H2,2H3
InChIKeyUJWDKAOROGUWSQ-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine 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-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
CID 143081164
3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
CID 143533183
N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
CID 143533258
ethane;N-[(3E)-5-methyl-4-methylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143768531
N-[(1Z)-1-(2-methylidenethiophen-3-ylidene)ethyl]methanimine
CID 143794591
N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188254
N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine;hydrate
CID 145188437
N-(2-ethylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 145388228
N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine
CID 167030579
N-[(3Z,5Z)-6-ethylsulfanyl-7-methylnona-1,3,5-trien-5-yl]methanimine
CID 167245828
5-ethenyl-4-[(Z)-prop-1-enyl]-6H-1,3-thiazine
CID 143381742
N-[(3E)-5-methyl-4-methylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143768532

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The IUPAC name of N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine (CID 145188480) is N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine is C=CC1=C(N=C)C(C)CSC1.
What is the InChIKey of N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The InChIKey is UJWDKAOROGUWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7H,1,3,5-6H2,2H3.
What are the key properties of N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine has a molecular weight of 167.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine is sourced from PubChem (CID 145188480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).