(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine

C17H19NS — CID 167169170

IUPAC(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine
SMILESC=C/C=C(/C=C1\SCCNC1=C)c1ccccc1C
InChIInChI=1S/C17H19NS/c1-4-7-15(16-9-6-5-8-13(16)2)12-17-14(3)18-10-11-19-17/h4-9,12,18H,1,3,10-11H2,2H3/b15-7-,17-12-
InChIKeyWZXRFFRVHMXRBZ-HFAJMPFGSA-N
MW269.41 g/mol
LogP4.30
Rot. Bonds3

About (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine

(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine (PubChem CID 167169170) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine.

Molecular Properties

Compound Name(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine
PubChem CID167169170
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine
SMILESC=C/C=C(/C=C1\SCCNC1=C)c1ccccc1C
InChIInChI=1S/C17H19NS/c1-4-7-15(16-9-6-5-8-13(16)2)12-17-14(3)18-10-11-19-17/h4-9,12,18H,1,3,10-11H2,2H3/b15-7-,17-12-
InChIKeyWZXRFFRVHMXRBZ-HFAJMPFGSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
CID 101011109
(1E)-1-(2-methylphenyl)buta-1,3-diene-1-sulfonic acid
CID 154979456
ethane;(E)-2-(2-methylphenyl)but-2-enal
CID 143157071
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
2,6-bis[(1E)-1-(2-methylphenyl)buta-1,3-dienyl]-3,7-dihydropyrrolo[2,3-f]indole
CID 166805755
1-[(3Z,5E)-5-ethenyl-2-methylocta-1,3,5,7-tetraen-4-yl]-2-methylbenzene
CID 143924136
1-bromo-2-[(3E)-hexa-1,3,5-trien-3-yl]benzene;ethane
CID 145141149
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine?
The IUPAC name of (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine (CID 167169170) is (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine.
What is the SMILES notation for (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine?
The canonical SMILES for (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine is C=C/C=C(/C=C1\SCCNC1=C)c1ccccc1C.
What is the InChIKey of (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine?
The InChIKey is WZXRFFRVHMXRBZ-HFAJMPFGSA-N. The full InChI is InChI=1S/C17H19NS/c1-4-7-15(16-9-6-5-8-13(16)2)12-17-14(3)18-10-11-19-17/h4-9,12,18H,1,3,10-11H2,2H3/b15-7-,17-12-.
What are the key properties of (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine?
(2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine has a molecular weight of 269.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methylidene-2-[(2Z)-2-(2-methylphenyl)penta-2,4-dienylidene]thiomorpholine is sourced from PubChem (CID 167169170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).