1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one

C22H25NO3S — CID 10156817

IUPAC1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one
SMILESO=C(CCS(=O)C1c2ccccc2CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C22H25NO3S/c24-21(23-12-14-26-15-13-23)11-16-27(25)22-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)22/h1-8,22H,9-16H2
InChIKeyPDOXWKFUGCIHSW-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.87
Rot. Bonds4

About 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one

1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one (PubChem CID 10156817) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one
PubChem CID10156817
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one
SMILESO=C(CCS(=O)C1c2ccccc2CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C22H25NO3S/c24-21(23-12-14-26-15-13-23)11-16-27(25)22-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)22/h1-8,22H,9-16H2
InChIKeyPDOXWKFUGCIHSW-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 109015672
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
CID 82159881
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
CID 52505275
2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
CID 24733829
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one (CID 10156817) is 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one is O=C(CCS(=O)C1c2ccccc2CCc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one?
The InChIKey is PDOXWKFUGCIHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c24-21(23-12-14-26-15-13-23)11-16-27(25)22-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)22/h1-8,22H,9-16H2.
What are the key properties of 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one?
1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one has a molecular weight of 383.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one is sourced from PubChem (CID 10156817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).