1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H25N3O2S — CID 26136009

IUPAC1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccs1)CC2
InChIInChI=1S/C21H25N3O2S/c1-22-20(26)24(12-9-17-6-3-2-4-7-17)19(25)21(22)10-13-23(14-11-21)16-18-8-5-15-27-18/h2-8,15H,9-14,16H2,1H3
InChIKeyOROGXXCDZSREEG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.22
Rot. Bonds5

About 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26136009) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26136009
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccs1)CC2
InChIInChI=1S/C21H25N3O2S/c1-22-20(26)24(12-9-17-6-3-2-4-7-17)19(25)21(22)10-13-23(14-11-21)16-18-8-5-15-27-18/h2-8,15H,9-14,16H2,1H3
InChIKeyOROGXXCDZSREEG-UHFFFAOYSA-N
XLogP3.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(2-phenylethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234591
1-methyl-3-(2-phenylethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147707
8-(1H-indol-3-ylmethyl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225594
1-methyl-3-(2-phenylethyl)-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136085
8-(2,3-dihydro-1H-inden-2-yl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221523
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
8-[(4-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219539
3-benzyl-1-methyl-8-[(4-methylsulfanylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224503
1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215638
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224764
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26136009) is 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccs1)CC2.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OROGXXCDZSREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-22-20(26)24(12-9-17-6-3-2-4-7-17)19(25)21(22)10-13-23(14-11-21)16-18-8-5-15-27-18/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 383.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26136009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).