N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C16H18N4O3S — CID 9451115

IUPACN-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O
InChIInChI=1S/C16H18N4O3S/c1-10-4-2-3-6-16(10)14(22)20(15(23)19-16)9-12(21)18-13-11(8-17)5-7-24-13/h5,7,10H,2-4,6,9H2,1H3,(H,18,21)(H,19,23)/t10-,16-/m1/s1
InChIKeyZOGVXABLWLHUGF-QLJPJBMISA-N
MW346.41 g/mol
LogP2.06
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 9451115) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID9451115
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O
InChIInChI=1S/C16H18N4O3S/c1-10-4-2-3-6-16(10)14(22)20(15(23)19-16)9-12(21)18-13-11(8-17)5-7-24-13/h5,7,10H,2-4,6,9H2,1H3,(H,18,21)(H,19,23)/t10-,16-/m1/s1
InChIKeyZOGVXABLWLHUGF-QLJPJBMISA-N
XLogP2.06
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 9451115) is N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is ZOGVXABLWLHUGF-QLJPJBMISA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-4-2-3-6-16(10)14(22)20(15(23)19-16)9-12(21)18-13-11(8-17)5-7-24-13/h5,7,10H,2-4,6,9H2,1H3,(H,18,21)(H,19,23)/t10-,16-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 9451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).