N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine

C11H15NS — CID 143830330

IUPACN-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine
SMILESC=N/C(=C\SCC)C1=CCCC=C1
InChIInChI=1S/C11H15NS/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h5,7-9H,2-4,6H2,1H3/b11-9-
InChIKeyPUDGLQZJZCYEKN-LUAWRHEFSA-N
MW193.31 g/mol
LogP3.56
Rot. Bonds4

About N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine

N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine (PubChem CID 143830330) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine
PubChem CID143830330
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine
SMILESC=N/C(=C\SCC)C1=CCCC=C1
InChIInChI=1S/C11H15NS/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h5,7-9H,2-4,6H2,1H3/b11-9-
InChIKeyPUDGLQZJZCYEKN-LUAWRHEFSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.56
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

Benzo[6,7]cyclohepta[1,2-d][1,3]thiazine
CID 129706149
N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 89272292
(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
CID 89470417
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
N-(2-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123516648
N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123551484
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(1Z,3E,5Z,6Z)-5-ethylidene-2-methyl-7-(methylideneamino)octa-1,3,6-triene-1-thiol
CID 129041776
2,10-Dimethyl-7-thia-9-azabicyclo[4.3.1]deca-1(10),2,4,8-tetraene
CID 132058500

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine?
The IUPAC name of N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine (CID 143830330) is N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine.
What is the SMILES notation for N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine?
The canonical SMILES for N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine is C=N/C(=C\SCC)C1=CCCC=C1.
What is the InChIKey of N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine?
The InChIKey is PUDGLQZJZCYEKN-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h5,7-9H,2-4,6H2,1H3/b11-9-.
What are the key properties of N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine?
N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine has a molecular weight of 193.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclohexa-1,5-dien-1-yl-2-ethylsulfanylethenyl]methanimine is sourced from PubChem (CID 143830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).