N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C14H20N4O3S — CID 42979278

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCSC2)C1=O
InChIInChI=1S/C14H20N4O3S/c1-9(2)13(3,7-15)16-10(19)6-18-11(20)14(17-12(18)21)4-5-22-8-14/h9H,4-6,8H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyKUCJBYWWMMKDMQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.47
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 42979278) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID42979278
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCSC2)C1=O
InChIInChI=1S/C14H20N4O3S/c1-9(2)13(3,7-15)16-10(19)6-18-11(20)14(17-12(18)21)4-5-22-8-14/h9H,4-6,8H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyKUCJBYWWMMKDMQ-UHFFFAOYSA-N
XLogP0.47
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-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

Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17455990
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884022
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7618860
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936
N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
CID 2460368
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide;hydrochloride
CID 119606902
N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 17413640
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 42979279
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691193
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
CID 55310160

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 42979278) is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCSC2)C1=O.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is KUCJBYWWMMKDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9(2)13(3,7-15)16-10(19)6-18-11(20)14(17-12(18)21)4-5-22-8-14/h9H,4-6,8H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 42979278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).