4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine

C14H20N2O3S — CID 51076359

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCc3ccccc3C2)CCO1
InChIInChI=1S/C14H20N2O3S/c1-12-10-16(8-9-19-12)20(17,18)15-7-6-13-4-2-3-5-14(13)11-15/h2-5,12H,6-11H2,1H3
InChIKeyMGRNDMZAGLDULN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.01
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine (PubChem CID 51076359) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
PubChem CID51076359
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCc3ccccc3C2)CCO1
InChIInChI=1S/C14H20N2O3S/c1-12-10-16(8-9-19-12)20(17,18)15-7-6-13-4-2-3-5-14(13)11-15/h2-5,12H,6-11H2,1H3
InChIKeyMGRNDMZAGLDULN-UHFFFAOYSA-N
XLogP1.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine (CID 51076359) is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine is CC1CN(S(=O)(=O)N2CCc3ccccc3C2)CCO1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine?
The InChIKey is MGRNDMZAGLDULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-10-16(8-9-19-12)20(17,18)15-7-6-13-4-2-3-5-14(13)11-15/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine?
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine has a molecular weight of 296.39 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine is sourced from PubChem (CID 51076359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).