N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

C14H26N2O5S — CID 97475500

IUPACN-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCCOCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1
InChIInChI=1S/C14H26N2O5S/c1-3-20-10-13(17)16-8-7-14(11-16)6-4-5-12(21-14)9-15-22(2,18)19/h12,15H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyRQZIXXKCXSSRJN-GXTWGEPZSA-N
MW334.44 g/mol
LogP0.11
Rot. Bonds6

About N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (PubChem CID 97475500) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
PubChem CID97475500
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC NameN-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCCOCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1
InChIInChI=1S/C14H26N2O5S/c1-3-20-10-13(17)16-8-7-14(11-16)6-4-5-12(21-14)9-15-22(2,18)19/h12,15H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyRQZIXXKCXSSRJN-GXTWGEPZSA-N
XLogP0.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(5R,7S)-2-(2-methoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475247
2-ethoxy-1-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155826189
N-[[(5R,7S)-2-(thiophene-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475132
2-methoxy-1-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 97487438
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855
N-[[(5R,7S)-2-(pyridine-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837745
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476555
N-[[(5R,7R)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155838049
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931
2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135101216

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (CID 97475500) is N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is CCOCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1.
What is the InChIKey of N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The InChIKey is RQZIXXKCXSSRJN-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-3-20-10-13(17)16-8-7-14(11-16)6-4-5-12(21-14)9-15-22(2,18)19/h12,15H,3-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97475500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).