N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C15H25N3O5S — CID 8011881

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H25N3O5S/c1-10(2)4-6-15(3)13(20)18(14(21)17-15)8-12(19)16-11-5-7-24(22,23)9-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t11-,15-/m0/s1
InChIKeyZJPHKBKCBBVLDS-NHYWBVRUSA-N
MW359.45 g/mol
LogP0.04
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8011881) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID8011881
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H25N3O5S/c1-10(2)4-6-15(3)13(20)18(14(21)17-15)8-12(19)16-11-5-7-24(22,23)9-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t11-,15-/m0/s1
InChIKeyZJPHKBKCBBVLDS-NHYWBVRUSA-N
XLogP0.04
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506905
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2503024
N-(2-methylcyclohexyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390572
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037231
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25389480
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2646971
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2646977
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3392202
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8011881) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZJPHKBKCBBVLDS-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-10(2)4-6-15(3)13(20)18(14(21)17-15)8-12(19)16-11-5-7-24(22,23)9-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t11-,15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8011881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).