1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione

C13H20N2O3S — CID 79903697

IUPAC1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2CCOC3(CCSC3)C2)C1=O
InChIInChI=1S/C13H20N2O3S/c1-15-11(16)6-10(12(15)17)14-9-2-4-18-13(7-9)3-5-19-8-13/h9-10,14H,2-8H2,1H3
InChIKeyNUJIUDPQABQJHH-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.39
Rot. Bonds2

About 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione

1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione (PubChem CID 79903697) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
PubChem CID79903697
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2CCOC3(CCSC3)C2)C1=O
InChIInChI=1S/C13H20N2O3S/c1-15-11(16)6-10(12(15)17)14-9-2-4-18-13(7-9)3-5-19-8-13/h9-10,14H,2-8H2,1H3
InChIKeyNUJIUDPQABQJHH-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
CID 79900518
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
4-chloro-2-methyl-5-[[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridazin-3-one
CID 97324839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione (CID 79903697) is 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione is CN1C(=O)CC(NC2CCOC3(CCSC3)C2)C1=O.
What is the InChIKey of 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione?
The InChIKey is NUJIUDPQABQJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15-11(16)6-10(12(15)17)14-9-2-4-18-13(7-9)3-5-19-8-13/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione?
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione has a molecular weight of 284.38 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 79903697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).