4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine

C22H23NOS2 — CID 110182414

IUPAC4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine
SMILESCC1C(c2ccccc2)OCCN1CC=C(c1ccsc1)c1ccsc1
InChIInChI=1S/C22H23NOS2/c1-17-22(18-5-3-2-4-6-18)24-12-11-23(17)10-7-21(19-8-13-25-15-19)20-9-14-26-16-20/h2-9,13-17,22H,10-12H2,1H3
InChIKeyWVNNNCYAGPQTMG-UHFFFAOYSA-N
MW381.57 g/mol
LogP5.70
Rot. Bonds5

About 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine

4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine (PubChem CID 110182414) has the molecular formula C22H23NOS2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine
PubChem CID110182414
Molecular FormulaC22H23NOS2
Molecular Weight381.57 g/mol
Exact Mass381.12
IUPAC Name4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine
SMILESCC1C(c2ccccc2)OCCN1CC=C(c1ccsc1)c1ccsc1
InChIInChI=1S/C22H23NOS2/c1-17-22(18-5-3-2-4-6-18)24-12-11-23(17)10-7-21(19-8-13-25-15-19)20-9-14-26-16-20/h2-9,13-17,22H,10-12H2,1H3
InChIKeyWVNNNCYAGPQTMG-UHFFFAOYSA-N
XLogP5.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholin-4-ium;(E)-4-hydroxy-4-oxobut-2-enoate
CID 110182413
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol
CID 141129247
2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
CID 20395
2-(dimethylamino)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 170895902
3-butyl-2-phenyl-1,3-oxazolidine
CID 17386684
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine?
The IUPAC name of 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine (CID 110182414) is 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine?
The canonical SMILES for 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine is CC1C(c2ccccc2)OCCN1CC=C(c1ccsc1)c1ccsc1.
What is the InChIKey of 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine?
The InChIKey is WVNNNCYAGPQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS2/c1-17-22(18-5-3-2-4-6-18)24-12-11-23(17)10-7-21(19-8-13-25-15-19)20-9-14-26-16-20/h2-9,13-17,22H,10-12H2,1H3.
What are the key properties of 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine?
4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine has a molecular weight of 381.57 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine is sourced from PubChem (CID 110182414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).