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

C9H13NS — CID 145188438

IUPACN-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine
SMILESC=CC1=C(N=C)C(C)CCS1
InChIInChI=1S/C9H13NS/c1-4-8-9(10-3)7(2)5-6-11-8/h4,7H,1,3,5-6H2,2H3
InChIKeyGQNINBYIHMBUJR-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.86
Rot. Bonds2

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

N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine (PubChem CID 145188438) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine.

Molecular Properties

Compound NameN-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine
PubChem CID145188438
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine
SMILESC=CC1=C(N=C)C(C)CCS1
InChIInChI=1S/C9H13NS/c1-4-8-9(10-3)7(2)5-6-11-8/h4,7H,1,3,5-6H2,2H3
InChIKeyGQNINBYIHMBUJR-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123516648
N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123551484
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-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188480
N-(2-ethylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 145388228
N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine
CID 155276533
N-[(3Z,5Z)-6-ethylsulfanyl-7-methylnona-1,3,5-trien-5-yl]methanimine
CID 167245828

Frequently Asked Questions

What is the IUPAC name of N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine?
The IUPAC name of N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine (CID 145188438) is N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine.
What is the SMILES notation for N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine?
The canonical SMILES for N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine is C=CC1=C(N=C)C(C)CCS1.
What is the InChIKey of N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine?
The InChIKey is GQNINBYIHMBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-8-9(10-3)7(2)5-6-11-8/h4,7H,1,3,5-6H2,2H3.
What are the key properties of N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine?
N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine has a molecular weight of 167.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine is sourced from PubChem (CID 145188438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).