3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide

C17H28N2O6S — CID 108964719

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
SMILESCN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H28N2O6S/c1-16(2,14(20)18(3)13-4-11-26(22,23)12-13)15(21)19-7-5-17(6-8-19)24-9-10-25-17/h13H,4-12H2,1-3H3
InChIKeyWHBRPSCJFDEOGU-UHFFFAOYSA-N
MW388.49 g/mol
LogP0.02
Rot. Bonds3

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide (PubChem CID 108964719) has the molecular formula C17H28N2O6S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
PubChem CID108964719
Molecular FormulaC17H28N2O6S
Molecular Weight388.49 g/mol
Exact Mass388.17
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
SMILESCN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H28N2O6S/c1-16(2,14(20)18(3)13-4-11-26(22,23)12-13)15(21)19-7-5-17(6-8-19)24-9-10-25-17/h13H,4-12H2,1-3H3
InChIKeyWHBRPSCJFDEOGU-UHFFFAOYSA-N
XLogP0.02
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989379
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821840
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
CID 109122924
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 61266565
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
CID 155929530
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112896169
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-N'-(4-methylphenyl)propanediamide
CID 108964735

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide (CID 108964719) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide is CN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide?
The InChIKey is WHBRPSCJFDEOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S/c1-16(2,14(20)18(3)13-4-11-26(22,23)12-13)15(21)19-7-5-17(6-8-19)24-9-10-25-17/h13H,4-12H2,1-3H3.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide has a molecular weight of 388.49 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide is sourced from PubChem (CID 108964719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).