4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H22N2O3S — CID 118738884

IUPAC4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H22N2O3S/c1-12-16(21-10-15(20)17(12)2)4-6-18(7-5-16)14(19)9-13-3-8-22-11-13/h3,8,11-12H,4-7,9-10H2,1-2H3
InChIKeyLEAXOZNZTHEVNR-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.53
Rot. Bonds2

About 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738884) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738884
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H22N2O3S/c1-12-16(21-10-15(20)17(12)2)4-6-18(7-5-16)14(19)9-13-3-8-22-11-13/h3,8,11-12H,4-7,9-10H2,1-2H3
InChIKeyLEAXOZNZTHEVNR-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1-[4-(2-Methoxyacetyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53522132
(4aR*,8aR*)-2-(methoxyacetyl)-7-[3-(3-thienyl)propanoyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72864462
1-[(5aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-3-ylethanone
CID 97403379
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508940
5-Methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118738877
4-(Cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118738909
4,5-Dimethyl-9-(thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118742501
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-[2-(2-Morpholinoethyl)piperidino]-2-(3-thienyl)-1-ethanone
CID 53193434
2-Methoxy-N-(oxan-4-YL)-N-{1-[2-(thiophen-3-YL)acetyl]piperidin-4-YL}acetamide
CID 91906165
1-[4-(Piperidin-1-YL)-1-oxa-9-azaspiro[5.5]undecan-9-YL]-2-(thiophen-3-YL)ethan-1-one
CID 91908263
1-(2-Methylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 42938372

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738884) is 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(C)C(=O)COC12CCN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LEAXOZNZTHEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-16(21-10-15(20)17(12)2)4-6-18(7-5-16)14(19)9-13-3-8-22-11-13/h3,8,11-12H,4-7,9-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.43 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).