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

C15H20N2O3S — CID 118738877

IUPAC5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H20N2O3S/c1-11-15(20-9-13(18)16-11)3-5-17(6-4-15)14(19)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3,(H,16,18)
InChIKeyZDBNCJFQNISLGV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.19
Rot. Bonds2

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

5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738877) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738877
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H20N2O3S/c1-11-15(20-9-13(18)16-11)3-5-17(6-4-15)14(19)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3,(H,16,18)
InChIKeyZDBNCJFQNISLGV-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-methoxyethyl)-3-[1-(3-thienylacetyl)piperidin-4-yl]propanamide
CID 23723469
N-(tetrahydro-2-furanylmethyl)-1'-(3-thienylacetyl)-1,4'-bipiperidine-4-carboxamide
CID 16191688
9-(Thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384655
4,5-Dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118738884
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-3-ylacetamide
CID 2448294
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
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 32616444
N-(2-methyl-2-morpholin-4-ylpropyl)-3-thiophen-3-ylpropanamide
CID 39958789
1-Morpholin-4-yl-3-(2-thiophen-3-ylpropylamino)butan-1-one
CID 75428480
1-[4-(3-Aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 79735660
1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 95872097

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738877) is 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1NC(=O)COC12CCN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZDBNCJFQNISLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-15(20-9-13(18)16-11)3-5-17(6-4-15)14(19)8-12-2-7-21-10-12/h2,7,10-11H,3-6,8-9H2,1H3,(H,16,18).
What are the key properties of 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 308.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).