7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one

C22H25NO3S — CID 12941357

IUPAC7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC1C2N1CCOCC1
InChIInChI=1S/C22H25NO3S/c24-19-12-18-20(13-17(19)22(18)23-8-10-25-11-9-23)26-14-16-6-7-21(27-16)15-4-2-1-3-5-15/h1-7,17-18,20,22H,8-14H2
InChIKeyZCYRDMNLECASFV-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.61
Rot. Bonds5

About 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one

7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one (PubChem CID 12941357) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one
PubChem CID12941357
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC1C2N1CCOCC1
InChIInChI=1S/C22H25NO3S/c24-19-12-18-20(13-17(19)22(18)23-8-10-25-11-9-23)26-14-16-6-7-21(27-16)15-4-2-1-3-5-15/h1-7,17-18,20,22H,8-14H2
InChIKeyZCYRDMNLECASFV-UHFFFAOYSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one (CID 12941357) is 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one is O=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC1C2N1CCOCC1.
What is the InChIKey of 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one?
The InChIKey is ZCYRDMNLECASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c24-19-12-18-20(13-17(19)22(18)23-8-10-25-11-9-23)26-14-16-6-7-21(27-16)15-4-2-1-3-5-15/h1-7,17-18,20,22H,8-14H2.
What are the key properties of 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one?
7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one has a molecular weight of 383.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 12941357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).