2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H21N3O3S — CID 2490637

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C16H21N3O3S/c20-13(17-10-12-6-5-9-23-12)11-19-14(21)16(18-15(19)22)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,17,20)(H,18,22)
InChIKeyCQLZQTXOKKLPFR-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2490637) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2490637
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C16H21N3O3S/c20-13(17-10-12-6-5-9-23-12)11-19-14(21)16(18-15(19)22)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,17,20)(H,18,22)
InChIKeyCQLZQTXOKKLPFR-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 2490637) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CQLZQTXOKKLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-13(17-10-12-6-5-9-23-12)11-19-14(21)16(18-15(19)22)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2490637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).