1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone

C17H26N2O2S — CID 91927467

IUPAC1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
SMILESCN(C)CC1CN(C(=O)Cc2ccsc2)CC12CCOCC2
InChIInChI=1S/C17H26N2O2S/c1-18(2)10-15-11-19(13-17(15)4-6-21-7-5-17)16(20)9-14-3-8-22-12-14/h3,8,12,15H,4-7,9-11,13H2,1-2H3
InChIKeyPQFZOQICRWDLIQ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone

1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 91927467) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
PubChem CID91927467
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
SMILESCN(C)CC1CN(C(=O)Cc2ccsc2)CC12CCOCC2
InChIInChI=1S/C17H26N2O2S/c1-18(2)10-15-11-19(13-17(15)4-6-21-7-5-17)16(20)9-14-3-8-22-12-14/h3,8,12,15H,4-7,9-11,13H2,1-2H3
InChIKeyPQFZOQICRWDLIQ-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-methoxyethyl)-1-(3-thienylacetyl)piperidine-4-carboxylate
CID 23723315
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
CID 118739161
[2-(3-Methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118739618
1-[11-(Cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 118743087
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53150814
3-Thiopheneacetamide, N-[2-[4-(2-methoxyethyl)-1-piperidinyl]-2-oxoethyl]-N-methyl-
CID 53151075
{4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-thienyl)methanone
CID 87053382
4-(Methoxymethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane
CID 91905838
1-[4-(Methoxymethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922136
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-2-(3-thienyl)acetamide
CID 91923012

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (CID 91927467) is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone is CN(C)CC1CN(C(=O)Cc2ccsc2)CC12CCOCC2.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
The InChIKey is PQFZOQICRWDLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18(2)10-15-11-19(13-17(15)4-6-21-7-5-17)16(20)9-14-3-8-22-12-14/h3,8,12,15H,4-7,9-11,13H2,1-2H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 322.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 91927467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).