N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide

C14H26N2O6S — CID 113149469

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCN(CC(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C14H26N2O6S/c1-20-9-3-6-16(23(2,18)19)12-13(17)15-7-4-14(5-8-15)21-10-11-22-14/h3-12H2,1-2H3
InChIKeyPUDOYLNBJAFNIZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP-0.35
Rot. Bonds7

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide (PubChem CID 113149469) has the molecular formula C14H26N2O6S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
PubChem CID113149469
Molecular FormulaC14H26N2O6S
Molecular Weight350.44 g/mol
Exact Mass350.15
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCN(CC(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C14H26N2O6S/c1-20-9-3-6-16(23(2,18)19)12-13(17)15-7-4-14(5-8-15)21-10-11-22-14/h3-12H2,1-2H3
InChIKeyPUDOYLNBJAFNIZ-UHFFFAOYSA-N
XLogP-0.35
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149281
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113150950
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
CID 78897408
N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137809
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113138654
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149458
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972894
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 113138786
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149291

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide (CID 113149469) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide is COCCCN(CC(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is PUDOYLNBJAFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6S/c1-20-9-3-6-16(23(2,18)19)12-13(17)15-7-4-14(5-8-15)21-10-11-22-14/h3-12H2,1-2H3.
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of -0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 113149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).