(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one

C20H27NO2S — CID 141318442

IUPAC(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one
SMILESCC(C)(C)C#Cc1cc(N2C(=O)COC[C@H]2C2CCCCC2)cs1
InChIInChI=1S/C20H27NO2S/c1-20(2,3)10-9-17-11-16(14-24-17)21-18(12-23-13-19(21)22)15-7-5-4-6-8-15/h11,14-15,18H,4-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyGFNGIJYMLTVYLH-SFHVURJKSA-N
MW345.51 g/mol
LogP4.46
Rot. Bonds2

About (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one

(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one (PubChem CID 141318442) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one.

Molecular Properties

Compound Name(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one
PubChem CID141318442
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one
SMILESCC(C)(C)C#Cc1cc(N2C(=O)COC[C@H]2C2CCCCC2)cs1
InChIInChI=1S/C20H27NO2S/c1-20(2,3)10-9-17-11-16(14-24-17)21-18(12-23-13-19(21)22)15-7-5-4-6-8-15/h11,14-15,18H,4-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyGFNGIJYMLTVYLH-SFHVURJKSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one?
The IUPAC name of (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one (CID 141318442) is (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one.
What is the SMILES notation for (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one?
The canonical SMILES for (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one is CC(C)(C)C#Cc1cc(N2C(=O)COC[C@H]2C2CCCCC2)cs1.
What is the InChIKey of (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one?
The InChIKey is GFNGIJYMLTVYLH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-20(2,3)10-9-17-11-16(14-24-17)21-18(12-23-13-19(21)22)15-7-5-4-6-8-15/h11,14-15,18H,4-8,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one?
(5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one has a molecular weight of 345.51 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexyl-4-[5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl]morpholin-3-one is sourced from PubChem (CID 141318442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).