N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide

C19H28N2O5S — CID 129480156

IUPACN-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCCN2CCO[C@]3(CCO[C@@H]3C)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-15-19(8-11-25-15)14-21(10-12-26-19)9-3-13-27(23,24)18-6-4-17(5-7-18)20-16(2)22/h4-7,15H,3,8-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1
InChIKeyJPKQQCXRYHZLKJ-DNVCBOLYSA-N
MW396.51 g/mol
LogP1.69
Rot. Bonds6

About N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide

N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide (PubChem CID 129480156) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide
PubChem CID129480156
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCCN2CCO[C@]3(CCO[C@@H]3C)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-15-19(8-11-25-15)14-21(10-12-26-19)9-3-13-27(23,24)18-6-4-17(5-7-18)20-16(2)22/h4-7,15H,3,8-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1
InChIKeyJPKQQCXRYHZLKJ-DNVCBOLYSA-N
XLogP1.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)acetamide
CID 122139618
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CID 125140300
1-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46889204
N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
CID 110631064
N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 155949287
3-(4-acetamidophenyl)sulfonylpropyl acetate
CID 86188958
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
CID 117032057
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
N-[4-[3-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propylsulfonyl]phenyl]acetamide
CID 95785521

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide (CID 129480156) is N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCO[C@]3(CCO[C@@H]3C)C2)cc1.
What is the InChIKey of N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide?
The InChIKey is JPKQQCXRYHZLKJ-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-15-19(8-11-25-15)14-21(10-12-26-19)9-3-13-27(23,24)18-6-4-17(5-7-18)20-16(2)22/h4-7,15H,3,8-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1.
What are the key properties of N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide?
N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide is sourced from PubChem (CID 129480156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).