4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine

C20H24N2O3S — CID 59826200

IUPAC4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3S/c23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21/h1-8H,9-16H2
InChIKeyGVKVNYKLJULQPO-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.27
Rot. Bonds4

About 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine

4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine (PubChem CID 59826200) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine
PubChem CID59826200
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3S/c23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21/h1-8H,9-16H2
InChIKeyGVKVNYKLJULQPO-UHFFFAOYSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine (CID 59826200) is 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine is O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine?
The InChIKey is GVKVNYKLJULQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21/h1-8H,9-16H2.
What are the key properties of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine?
4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine has a molecular weight of 372.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine is sourced from PubChem (CID 59826200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).