1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone

C24H33NO5S — CID 5008290

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone
SMILESCCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCC1)O2
InChIInChI=1S/C24H33NO5S/c1-2-27-18-5-6-20-19(15-18)21(16-23(30-20)7-3-4-8-23)31-17-22(26)25-11-9-24(10-12-25)28-13-14-29-24/h5-6,15,21H,2-4,7-14,16-17H2,1H3
InChIKeyRBMBXCLGRUIYOE-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.32
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone (PubChem CID 5008290) has the molecular formula C24H33NO5S and a molecular weight of 447.60 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone
PubChem CID5008290
Molecular FormulaC24H33NO5S
Molecular Weight447.60 g/mol
Exact Mass447.21
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone
SMILESCCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCC1)O2
InChIInChI=1S/C24H33NO5S/c1-2-27-18-5-6-20-19(15-18)21(16-23(30-20)7-3-4-8-23)31-17-22(26)25-11-9-24(10-12-25)28-13-14-29-24/h5-6,15,21H,2-4,7-14,16-17H2,1H3
InChIKeyRBMBXCLGRUIYOE-UHFFFAOYSA-N
XLogP4.32
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone with MolForge

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone
CID 6619825
N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide
CID 5008281
3-[(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]sulfanylpropanoic acid
CID 92864019
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetate
CID 4126484
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide
CID 4160243
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 82020729

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone (CID 5008290) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone is CCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCC1)O2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone?
The InChIKey is RBMBXCLGRUIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5S/c1-2-27-18-5-6-20-19(15-18)21(16-23(30-20)7-3-4-8-23)31-17-22(26)25-11-9-24(10-12-25)28-13-14-29-24/h5-6,15,21H,2-4,7-14,16-17H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone has a molecular weight of 447.60 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone is sourced from PubChem (CID 5008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).