4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine

C16H25NO4S — CID 2950173

IUPAC4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO4S/c1-11(2)14-6-7-15(20-5)16(8-14)22(18,19)17-9-12(3)21-13(4)10-17/h6-8,11-13H,9-10H2,1-5H3
InChIKeyCALIFBVFCNLIOG-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.62
Rot. Bonds4

About 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2950173) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2950173
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO4S/c1-11(2)14-6-7-15(20-5)16(8-14)22(18,19)17-9-12(3)21-13(4)10-17/h6-8,11-13H,9-10H2,1-5H3
InChIKeyCALIFBVFCNLIOG-UHFFFAOYSA-N
XLogP2.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2950173) is 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is CALIFBVFCNLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-11(2)14-6-7-15(20-5)16(8-14)22(18,19)17-9-12(3)21-13(4)10-17/h6-8,11-13H,9-10H2,1-5H3.
What are the key properties of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 327.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2950173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).