1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone

C19H28N2O4S — CID 122519799

IUPAC1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)C2CC(CN(C)C)OC23CCNCC3)cc1
InChIInChI=1S/C19H28N2O4S/c1-14(22)15-4-6-17(7-5-15)26(23,24)18-12-16(13-21(2)3)25-19(18)8-10-20-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyMTUASYOXEGROGN-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.50
Rot. Bonds5

About 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone

1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone (PubChem CID 122519799) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone
PubChem CID122519799
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)C2CC(CN(C)C)OC23CCNCC3)cc1
InChIInChI=1S/C19H28N2O4S/c1-14(22)15-4-6-17(7-5-15)26(23,24)18-12-16(13-21(2)3)25-19(18)8-10-20-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyMTUASYOXEGROGN-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone (CID 122519799) is 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)C2CC(CN(C)C)OC23CCNCC3)cc1.
What is the InChIKey of 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone?
The InChIKey is MTUASYOXEGROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14(22)15-4-6-17(7-5-15)26(23,24)18-12-16(13-21(2)3)25-19(18)8-10-20-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3.
What are the key properties of 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone?
1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone has a molecular weight of 380.51 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(dimethylamino)methyl]-1-oxa-8-azaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone is sourced from PubChem (CID 122519799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).