[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone

C18H27NO4S — CID 91918155

IUPAC[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1
InChIInChI=1S/C18H27NO4S/c1-14-4-12-24-16(14)17(20)19-7-5-18(6-8-19)13-15(3-9-23-18)22-11-10-21-2/h4,12,15H,3,5-11,13H2,1-2H3
InChIKeyNUSYLFWVJJTSPR-UHFFFAOYSA-N
MW353.48 g/mol
LogP2.87
Rot. Bonds5

About [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone

[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 91918155) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID91918155
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC Name[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1
InChIInChI=1S/C18H27NO4S/c1-14-4-12-24-16(14)17(20)19-7-5-18(6-8-19)13-15(3-9-23-18)22-11-10-21-2/h4,12,15H,3,5-11,13H2,1-2H3
InChIKeyNUSYLFWVJJTSPR-UHFFFAOYSA-N
XLogP2.87
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908291
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
(3R*,4R*)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72854489
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
[4-[Benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 91908277
N-Benzyl-N-cyclopropyl-9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908292
N-Cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-YL]benzamide
CID 91919883
4-[(4-Methylphenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053253
2-(2-Phenylethyl)-4-(2-thienylcarbonyl)morpholine
CID 45209120
[4-(2-Methoxyethyl)piperidino](3-methyl-2-thienyl)methanone
CID 53150843
1-{5-[(5-Hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-2-thienyl}ethanone
CID 72846601
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](3-methyl-2-thienyl)methanone
CID 91907709

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone (CID 91918155) is [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone is COCCOC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1.
What is the InChIKey of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is NUSYLFWVJJTSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-14-4-12-24-16(14)17(20)19-7-5-18(6-8-19)13-15(3-9-23-18)22-11-10-21-2/h4,12,15H,3,5-11,13H2,1-2H3.
What are the key properties of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone?
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 353.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91918155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).