(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C14H21N3OS — CID 97373760

IUPAC(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCN1CC(=O)NC[C@]12CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H21N3OS/c1-2-17-8-13(18)15-10-14(17)4-5-16(11-14)7-12-3-6-19-9-12/h3,6,9H,2,4-5,7-8,10-11H2,1H3,(H,15,18)/t14-/m0/s1
InChIKeyGPNUFMCRUJBHIQ-AWEZNQCLSA-N
MW279.41 g/mol
LogP1.14
Rot. Bonds3

About (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373760) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373760
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCN1CC(=O)NC[C@]12CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H21N3OS/c1-2-17-8-13(18)15-10-14(17)4-5-16(11-14)7-12-3-6-19-9-12/h3,6,9H,2,4-5,7-8,10-11H2,1H3,(H,15,18)/t14-/m0/s1
InChIKeyGPNUFMCRUJBHIQ-AWEZNQCLSA-N
XLogP1.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-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

(5S)-6-methyl-9-pyridin-3-yl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373571
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97399235
(5S)-9-(3-fluorophenyl)-6-methyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373509
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131654839
(5R)-3-ethyl-13-methylsulfonyl-9-(thiophen-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360558
3-ethyl-13-methylsulfonyl-9-(thiophen-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131650834
2-ethyl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155841735
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97370835
6-methyl-9-pyridin-3-yl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171697295
1-methyl-4-(pyridin-4-ylmethyl)-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373388
2-methyl-4-[[7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-1,3-thiazole
CID 97399225

Frequently Asked Questions

What is the IUPAC name of (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373760) is (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CCN1CC(=O)NC[C@]12CCN(Cc1ccsc1)C2.
What is the InChIKey of (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is GPNUFMCRUJBHIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-17-8-13(18)15-10-14(17)4-5-16(11-14)7-12-3-6-19-9-12/h3,6,9H,2,4-5,7-8,10-11H2,1H3,(H,15,18)/t14-/m0/s1.
What are the key properties of (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 279.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).