N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide

C18H26N2O5S — CID 113138654

IUPACN-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1
InChIInChI=1S/C18H26N2O5S/c1-26(22,23)20(15-16-5-3-2-4-6-16)10-7-17(21)19-11-8-18(9-12-19)24-13-14-25-18/h2-6H,7-15H2,1H3
InChIKeyWGZBFJMFWKYGMK-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.20
Rot. Bonds6

About N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide

N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113138654) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113138654
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1
InChIInChI=1S/C18H26N2O5S/c1-26(22,23)20(15-16-5-3-2-4-6-16)10-7-17(21)19-11-8-18(9-12-19)24-13-14-25-18/h2-6H,7-15H2,1H3
InChIKeyWGZBFJMFWKYGMK-UHFFFAOYSA-N
XLogP1.20
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 113138786
3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028432
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(2-fluorophenyl)methanesulfonamide
CID 113143438
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113150950
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-(2,4-dimethylphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113142052
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 4045038
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149281

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide (CID 113138654) is N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is WGZBFJMFWKYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-26(22,23)20(15-16-5-3-2-4-6-16)10-7-17(21)19-11-8-18(9-12-19)24-13-14-25-18/h2-6H,7-15H2,1H3.
What are the key properties of N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide?
N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 382.48 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113138654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).