7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

C19H24N2O3S — CID 23737441

IUPAC7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCOc1ccc2c(c1)CCCC21CC(=O)N(CN2CCSCC2)C1=O
InChIInChI=1S/C19H24N2O3S/c1-24-15-4-5-16-14(11-15)3-2-6-19(16)12-17(22)21(18(19)23)13-20-7-9-25-10-8-20/h4-5,11H,2-3,6-10,12-13H2,1H3
InChIKeySENRASRYRPJLPY-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.03
Rot. Bonds3

About 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 23737441) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID23737441
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCOc1ccc2c(c1)CCCC21CC(=O)N(CN2CCSCC2)C1=O
InChIInChI=1S/C19H24N2O3S/c1-24-15-4-5-16-14(11-15)3-2-6-19(16)12-17(22)21(18(19)23)13-20-7-9-25-10-8-20/h4-5,11H,2-3,6-10,12-13H2,1H3
InChIKeySENRASRYRPJLPY-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(4-(diethylamino)butyl)-7-methoxy-
CID 3058735
2-(7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)ethyl selenocyanate
CID 46854847
3-(7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)propyl selenocyanate
CID 46854848
4-(7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)butyl selenocyanate
CID 46854849
5-(7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)pentyl selenocyanate
CID 46854850
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(2-(dimethylamino)ethyl)-6-methoxy-, hydrochloride
CID 205117
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)propyl)-6-methoxy-, hydrochloride
CID 205119
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(4-(dimethylamino)butyl)-7-methoxy-
CID 205128
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(dimethylamino)propyl)-6-methoxy-, hydrochloride
CID 3059320
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(4-(diethylamino)butyl)-6-methoxy-, hydrochloride
CID 3059322
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)butyl)-6-methoxy-, hydrochloride
CID 5746443
1'-[2-(dimethylamino)ethyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 205118

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 23737441) is 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is COc1ccc2c(c1)CCCC21CC(=O)N(CN2CCSCC2)C1=O.
What is the InChIKey of 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is SENRASRYRPJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-15-4-5-16-14(11-15)3-2-6-19(16)12-17(22)21(18(19)23)13-20-7-9-25-10-8-20/h4-5,11H,2-3,6-10,12-13H2,1H3.
What are the key properties of 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 360.48 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-(thiomorpholin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 23737441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).