1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone

C16H24N2O2S — CID 97491862

IUPAC1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone
SMILESCCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C16H24N2O2S/c1-2-18-9-10-20-13-16(18)5-7-17(8-6-16)15(19)12-14-4-3-11-21-14/h3-4,11H,2,5-10,12-13H2,1H3
InChIKeyLKBICGKWTLNSGC-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone

1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone (PubChem CID 97491862) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone
PubChem CID97491862
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone
SMILESCCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C16H24N2O2S/c1-2-18-9-10-20-13-16(18)5-7-17(8-6-16)15(19)12-14-4-3-11-21-14/h3-4,11H,2,5-10,12-13H2,1H3
InChIKeyLKBICGKWTLNSGC-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786046
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
2-(2-Methoxyethyl)-8-[4-(2-thienyl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
[9-(2-Methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
CID 97450876
1-[1-(2-Methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
CID 97491874
1-[1-(Cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
CID 97491883
1-[(5aR,9aS)-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-2-ylethanone
CID 97511305
1-[(5aR,9aS)-4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-2-ylethanone
CID 97511328
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
CID 118739161

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone (CID 97491862) is 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone is CCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2.
What is the InChIKey of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone?
The InChIKey is LKBICGKWTLNSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18-9-10-20-13-16(18)5-7-17(8-6-16)15(19)12-14-4-3-11-21-14/h3-4,11H,2,5-10,12-13H2,1H3.
What are the key properties of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone?
1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone has a molecular weight of 308.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 97491862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).