(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one

C15H20N2O2S — CID 124815499

IUPAC(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)Cc2ccsc2)C[C@@]12CCN(C)C2=O
InChIInChI=1S/C15H20N2O2S/c1-11-8-17(13(18)7-12-3-6-20-9-12)10-15(11)4-5-16(2)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3/t11-,15-/m0/s1
InChIKeyFNUNAHAPFLWIEN-NHYWBVRUSA-N
MW292.40 g/mol
LogP1.62
Rot. Bonds2

About (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124815499) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124815499
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)Cc2ccsc2)C[C@@]12CCN(C)C2=O
InChIInChI=1S/C15H20N2O2S/c1-11-8-17(13(18)7-12-3-6-20-9-12)10-15(11)4-5-16(2)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3/t11-,15-/m0/s1
InChIKeyFNUNAHAPFLWIEN-NHYWBVRUSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

(5R,9R)-7-[2-(4-fluorophenyl)acetyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124819145
3-methyl-13-(2-methylpropyl)-9-(2-thiophen-3-ylacetyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131638352
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
(5S)-4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471553
1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-thiophen-3-ylethanone
CID 135112798
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131690193
4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
CID 66085882
(3aS,7aS)-2-(2-thiophen-3-ylacetyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 154789923
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 124815499) is (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one is C[C@H]1CN(C(=O)Cc2ccsc2)C[C@@]12CCN(C)C2=O.
What is the InChIKey of (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FNUNAHAPFLWIEN-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-8-17(13(18)7-12-3-6-20-9-12)10-15(11)4-5-16(2)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 292.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124815499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).