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

C25H35NO5S — CID 6619825

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone
SMILESCCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCCC1)O2
InChIInChI=1S/C25H35NO5S/c1-2-28-19-6-7-21-20(16-19)22(17-24(31-21)8-4-3-5-9-24)32-18-23(27)26-12-10-25(11-13-26)29-14-15-30-25/h6-7,16,22H,2-5,8-15,17-18H2,1H3
InChIKeyFTCCYXCEVNVBLM-UHFFFAOYSA-N
MW461.62 g/mol
LogP4.71
Rot. Bonds5

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone (PubChem CID 6619825) has the molecular formula C25H35NO5S and a molecular weight of 461.62 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'-cyclohexane]-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'-cyclohexane]-4-yl)sulfanylethanone
PubChem CID6619825
Molecular FormulaC25H35NO5S
Molecular Weight461.62 g/mol
Exact Mass461.22
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone
SMILESCCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCCC1)O2
InChIInChI=1S/C25H35NO5S/c1-2-28-19-6-7-21-20(16-19)22(17-24(31-21)8-4-3-5-9-24)32-18-23(27)26-12-10-25(11-13-26)29-14-15-30-25/h6-7,16,22H,2-5,8-15,17-18H2,1H3
InChIKeyFTCCYXCEVNVBLM-UHFFFAOYSA-N
XLogP4.71
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.62
LogP ≤ 54.71
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'-cyclohexane]-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'-cyclopentane]-4-yl)sulfanylethanone
CID 5008290
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-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
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

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'-cyclohexane]-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'-cyclohexane]-4-yl)sulfanylethanone (CID 6619825) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-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'-cyclohexane]-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'-cyclohexane]-4-yl)sulfanylethanone is CCOc1ccc2c(c1)C(SCC(=O)N1CCC3(CC1)OCCO3)CC1(CCCCC1)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'-cyclohexane]-4-yl)sulfanylethanone?
The InChIKey is FTCCYXCEVNVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5S/c1-2-28-19-6-7-21-20(16-19)22(17-24(31-21)8-4-3-5-9-24)32-18-23(27)26-12-10-25(11-13-26)29-14-15-30-25/h6-7,16,22H,2-5,8-15,17-18H2,1H3.
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'-cyclohexane]-4-yl)sulfanylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone has a molecular weight of 461.62 g/mol, XLogP of 4.71, 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'-cyclohexane]-4-yl)sulfanylethanone is sourced from PubChem (CID 6619825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).