N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine

C10H15NS — CID 143533258

IUPACN-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCS(=C)C1
InChIInChI=1S/C10H15NS/c1-4-9-8-12(3)7-6-10(9)11-5-2/h4-5H,1,3,6-8H2,2H3/b11-5+
InChIKeyPKIKEVXGWNRBBG-VZUCSPMQSA-N
MW181.30 g/mol
LogP2.62
Rot. Bonds2

About N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine

N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine (PubChem CID 143533258) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine.

Molecular Properties

Compound NameN-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
PubChem CID143533258
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCS(=C)C1
InChIInChI=1S/C10H15NS/c1-4-9-8-12(3)7-6-10(9)11-5-2/h4-5H,1,3,6-8H2,2H3/b11-5+
InChIKeyPKIKEVXGWNRBBG-VZUCSPMQSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
CID 89470417
2H-thieno[3,2-i][1]benzazepine
CID 121416106
3-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-3,6-dihydro-2H-1,4-thiazine
CID 137427588
9-Thia-6-azatricyclo[8.4.0.02,5]tetradeca-1(10),2(5),3,6,13-pentaene
CID 140206250
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
CID 143533183
5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
CID 143987850
N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188480
N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
CID 167295151
N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine
CID 142051765

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine?
The IUPAC name of N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine (CID 143533258) is N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine.
What is the SMILES notation for N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine?
The canonical SMILES for N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine is C=CC1=C(/N=C/C)CCS(=C)C1.
What is the InChIKey of N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine?
The InChIKey is PKIKEVXGWNRBBG-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-9-8-12(3)7-6-10(9)11-5-2/h4-5H,1,3,6-8H2,2H3/b11-5+.
What are the key properties of N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine?
N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine has a molecular weight of 181.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine is sourced from PubChem (CID 143533258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).