1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C16H23N3O2S — CID 97495806

IUPAC1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H23N3O2S/c1-2-19-9-6-17-15(21)16(19)4-7-18(8-5-16)14(20)11-13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,21)
InChIKeyBSWHQVSINAKMQO-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.10
Rot. Bonds3

About 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495806) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495806
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H23N3O2S/c1-2-19-9-6-17-15(21)16(19)4-7-18(8-5-16)14(20)11-13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,21)
InChIKeyBSWHQVSINAKMQO-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131682056
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
CID 66085882
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859
methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 121021108
(5S)-4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471553
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495806) is 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is BSWHQVSINAKMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-19-9-6-17-15(21)16(19)4-7-18(8-5-16)14(20)11-13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,21).
What are the key properties of 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 321.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).