1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone

C14H19NO3S — CID 71789583

IUPAC1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H19NO3S/c1-13(2)17-9-14(10-18-13)7-15(8-14)12(16)6-11-4-3-5-19-11/h3-5H,6-10H2,1-2H3
InChIKeySJRGTFORAKVGBD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds2

About 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone

1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone (PubChem CID 71789583) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone
PubChem CID71789583
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H19NO3S/c1-13(2)17-9-14(10-18-13)7-15(8-14)12(16)6-11-4-3-5-19-11/h3-5H,6-10H2,1-2H3
InChIKeySJRGTFORAKVGBD-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
CID 124828538
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone (CID 71789583) is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone is CC1(C)OCC2(CO1)CN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone?
The InChIKey is SJRGTFORAKVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-13(2)17-9-14(10-18-13)7-15(8-14)12(16)6-11-4-3-5-19-11/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone?
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 71789583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).