(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C20H23NO2S — CID 72905815

IUPAC(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1scc(C(=O)N2CCCC3(CCOC3)C2)c1-c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15-18(16-6-3-2-4-7-16)17(12-24-15)19(22)21-10-5-8-20(13-21)9-11-23-14-20/h2-4,6-7,12H,5,8-11,13-14H2,1H3
InChIKeyMLJRPDWENVQAGS-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.37
Rot. Bonds2

About (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 72905815) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID72905815
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1scc(C(=O)N2CCCC3(CCOC3)C2)c1-c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-15-18(16-6-3-2-4-7-16)17(12-24-15)19(22)21-10-5-8-20(13-21)9-11-23-14-20/h2-4,6-7,12H,5,8-11,13-14H2,1H3
InChIKeyMLJRPDWENVQAGS-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

Ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16190507
Ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-benzyl-4-piperidinecarboxylate
CID 16190552
(3-Methylol-3-phenethyl-piperidino)-(2-thienyl)methanone
CID 24816681
(4-Tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9022655
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 899095
Ethyl 3-(4-fluorobenzyl)-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinecarboxylate
CID 45192756
{4-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]piperidin-4-yl}methanol
CID 16188737
{3-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanol
CID 24790078
1-[5-[3-(Hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 24790656
Ethyl 3-(2-methylbenzyl)-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinecarboxylate
CID 24817222
[3-(2-Fluorobenzyl)-3-methylol-piperidino]-(3-methyl-2-thienyl)methanone
CID 24818922
Ethyl 1-(4-phenylthiophene-2-carbonyl)azepane-4-carboxylate
CID 49791385

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 72905815) is (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cc1scc(C(=O)N2CCCC3(CCOC3)C2)c1-c1ccccc1.
What is the InChIKey of (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is MLJRPDWENVQAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-18(16-6-3-2-4-7-16)17(12-24-15)19(22)21-10-5-8-20(13-21)9-11-23-14-20/h2-4,6-7,12H,5,8-11,13-14H2,1H3.
What are the key properties of (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-phenylthiophen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 72905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).