N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide

C19H27N3O5S — CID 172667360

IUPACN-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)CC(CN(C)C)OC3=O)cc1
InChIInChI=1S/C19H27N3O5S/c1-14(23)20-15-4-6-17(7-5-15)28(25,26)22-10-8-19(9-11-22)12-16(13-21(2)3)27-18(19)24/h4-7,16H,8-13H2,1-3H3,(H,20,23)
InChIKeyRYYZRRFPSLUISI-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.29
Rot. Bonds5

About N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide

N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide (PubChem CID 172667360) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide
PubChem CID172667360
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)CC(CN(C)C)OC3=O)cc1
InChIInChI=1S/C19H27N3O5S/c1-14(23)20-15-4-6-17(7-5-15)28(25,26)22-10-8-19(9-11-22)12-16(13-21(2)3)27-18(19)24/h4-7,16H,8-13H2,1-3H3,(H,20,23)
InChIKeyRYYZRRFPSLUISI-UHFFFAOYSA-N
XLogP1.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide with MolForge

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Related Compounds

8-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172660577
8-(2,6-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672023
3-[(dimethylamino)methyl]-8-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172671176
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
CID 27396707
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
3-[(dimethylamino)methyl]-8-(5-phenylpentanoyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172656798
N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 81214143
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide (CID 172667360) is N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)CC(CN(C)C)OC3=O)cc1.
What is the InChIKey of N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide?
The InChIKey is RYYZRRFPSLUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-14(23)20-15-4-6-17(7-5-15)28(25,26)22-10-8-19(9-11-22)12-16(13-21(2)3)27-18(19)24/h4-7,16H,8-13H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide?
N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 172667360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).