2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]

C17H26N2O3S — CID 97400696

IUPAC2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCOCCN1Cc2ccccc2C2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C17H26N2O3S/c1-22-12-11-18-13-15-5-3-4-6-16(15)17(14-18)7-9-19(10-8-17)23(2,20)21/h3-6H,7-14H2,1-2H3
InChIKeyMUNGYYZVRGXNFN-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.44
Rot. Bonds4

About 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]

2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine] (PubChem CID 97400696) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]
PubChem CID97400696
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESCOCCN1Cc2ccccc2C2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C17H26N2O3S/c1-22-12-11-18-13-15-5-3-4-6-16(15)17(14-18)7-9-19(10-8-17)23(2,20)21/h3-6H,7-14H2,1-2H3
InChIKeyMUNGYYZVRGXNFN-UHFFFAOYSA-N
XLogP1.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The IUPAC name of 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine] (CID 97400696) is 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine].
What is the SMILES notation for 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The canonical SMILES for 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine] is COCCN1Cc2ccccc2C2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The InChIKey is MUNGYYZVRGXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-12-11-18-13-15-5-3-4-6-16(15)17(14-18)7-9-19(10-8-17)23(2,20)21/h3-6H,7-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine] has a molecular weight of 338.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1'-methylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine] is sourced from PubChem (CID 97400696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).