(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine

C14H21NS — CID 143703438

IUPAC(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\CC)SC1C=CC(C)CC1
InChIInChI=1S/C14H21NS/c1-4-13(10-11-15-5-2)16-14-8-6-12(3)7-9-14/h4,6,8,10-12,14H,1,5,7,9H2,2-3H3/b13-10+,15-11+
InChIKeyCRPBJUVBECGEJK-FVIOEUFFSA-N
MW235.40 g/mol
LogP4.23
Rot. Bonds5

About (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine

(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine (PubChem CID 143703438) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine
PubChem CID143703438
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\CC)SC1C=CC(C)CC1
InChIInChI=1S/C14H21NS/c1-4-13(10-11-15-5-2)16-14-8-6-12(3)7-9-14/h4,6,8,10-12,14H,1,5,7,9H2,2-3H3/b13-10+,15-11+
InChIKeyCRPBJUVBECGEJK-FVIOEUFFSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5,5a,9a-Tetrahydro-1,4-benzothiazepine
CID 90877822
5-(Cyclohex-3-en-1-ylmethylsulfanyl)-3-methyl-2,3-dihydropyridine
CID 91092083
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123212945
4-(12-Methyl-7-methylidene-2-thiabicyclo[6.5.0]trideca-1(13),4,5,9-tetraen-11-yl)-2,3-dihydropyridine
CID 123320728
(6E)-5-butan-2-yl-6-prop-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123616047
(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
CID 123951837
(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine;propane
CID 143703437
Ethane;2-ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172000
(2Z)-N-methyl-4-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]sulfanylpenta-2,4-dien-1-imine
CID 169811676
(2Z)-N-methyl-4-[(4E,6Z)-2-methylocta-4,6-dien-4-yl]sulfanylpenta-2,4-dien-1-imine
CID 169811677
(1E,11Z)-2-methyl-3-thia-9-azabicyclo[10.4.0]hexadeca-1,9,11,13,15-pentaene
CID 141866964

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine (CID 143703438) is (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine is C=C/C(=C\C=N\CC)SC1C=CC(C)CC1.
What is the InChIKey of (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine?
The InChIKey is CRPBJUVBECGEJK-FVIOEUFFSA-N. The full InChI is InChI=1S/C14H21NS/c1-4-13(10-11-15-5-2)16-14-8-6-12(3)7-9-14/h4,6,8,10-12,14H,1,5,7,9H2,2-3H3/b13-10+,15-11+.
What are the key properties of (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine?
(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine has a molecular weight of 235.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143703438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).