2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H21N3O3S — CID 3903620

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccs1)C2=O
InChIInChI=1S/C16H21N3O3S/c1-11-4-6-16(7-5-11)14(21)19(15(22)18-16)10-13(20)17-9-12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyDBAGSDNZVTWIJM-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.87
Rot. Bonds4

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3903620) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3903620
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccs1)C2=O
InChIInChI=1S/C16H21N3O3S/c1-11-4-6-16(7-5-11)14(21)19(15(22)18-16)10-13(20)17-9-12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyDBAGSDNZVTWIJM-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 3903620) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccs1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DBAGSDNZVTWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-4-6-16(7-5-11)14(21)19(15(22)18-16)10-13(20)17-9-12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3903620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).