4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine

C22H23NOS — CID 102573673

IUPAC4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
SMILESCS/C(=C\c1ccccc1)C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H23NOS/c1-25-22(18-20-10-6-3-7-11-20)21(23-14-16-24-17-15-23)13-12-19-8-4-2-5-9-19/h2-11,18,21H,14-17H2,1H3/b22-18-
InChIKeySGBAHRPNCYEWSG-PYCFMQQDSA-N
MW349.50 g/mol
LogP4.14
Rot. Bonds4

About 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine

4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine (PubChem CID 102573673) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
PubChem CID102573673
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
SMILESCS/C(=C\c1ccccc1)C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H23NOS/c1-25-22(18-20-10-6-3-7-11-20)21(23-14-16-24-17-15-23)13-12-19-8-4-2-5-9-19/h2-11,18,21H,14-17H2,1H3/b22-18-
InChIKeySGBAHRPNCYEWSG-PYCFMQQDSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
CID 132547689
2-morpholin-4-yl-4-phenylbut-3-enoic acid
CID 57367845
4-[(E)-4-phenylbut-3-en-2-yl]morpholine
CID 101488129
(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine
CID 177411939
4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine
CID 12590230
2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)-6-nitrophenol
CID 45146465
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine?
The IUPAC name of 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine (CID 102573673) is 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine.
What is the SMILES notation for 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine?
The canonical SMILES for 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine is CS/C(=C\c1ccccc1)C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine?
The InChIKey is SGBAHRPNCYEWSG-PYCFMQQDSA-N. The full InChI is InChI=1S/C22H23NOS/c1-25-22(18-20-10-6-3-7-11-20)21(23-14-16-24-17-15-23)13-12-19-8-4-2-5-9-19/h2-11,18,21H,14-17H2,1H3/b22-18-.
What are the key properties of 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine?
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine has a molecular weight of 349.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine is sourced from PubChem (CID 102573673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).