3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H22N4O5S — CID 155959407

IUPAC3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCNS(=O)(=O)CC1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H22N4O5S/c1-10(11(19)17-7-6-15-24(22,23)9-8-17)18-12(20)14(16-13(18)21)4-2-3-5-14/h10,15H,2-9H2,1H3,(H,16,21)
InChIKeyBDUJRRXAGRPVLF-UHFFFAOYSA-N
MW358.42 g/mol
LogP-1.00
Rot. Bonds2

About 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 155959407) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID155959407
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCNS(=O)(=O)CC1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H22N4O5S/c1-10(11(19)17-7-6-15-24(22,23)9-8-17)18-12(20)14(16-13(18)21)4-2-3-5-14/h10,15H,2-9H2,1H3,(H,16,21)
InChIKeyBDUJRRXAGRPVLF-UHFFFAOYSA-N
XLogP-1.00
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
3-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120809899
3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120819908
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
3-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119623423
3-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120572016
3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 166226281
3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71872147
tert-butyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337928
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007
1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 96578382
3-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120745710

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 155959407) is 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C(=O)N1CCNS(=O)(=O)CC1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BDUJRRXAGRPVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-10(11(19)17-7-6-15-24(22,23)9-8-17)18-12(20)14(16-13(18)21)4-2-3-5-14/h10,15H,2-9H2,1H3,(H,16,21).
What are the key properties of 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 358.42 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 155959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).