N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide

C24H30N2O3S — CID 42211197

IUPACN-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCC2(CCN(C/C=C/c3ccccc3)CC2)O1)c1ccccc1
InChIInChI=1S/C24H30N2O3S/c27-30(28,23-11-5-2-6-12-23)25-20-22-13-14-24(29-22)15-18-26(19-16-24)17-7-10-21-8-3-1-4-9-21/h1-12,22,25H,13-20H2/b10-7+/t22-/m1/s1
InChIKeyMYSLTNGUQJSSOT-HWWNHIDJSA-N
MW426.58 g/mol
LogP3.69
Rot. Bonds7

About N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide

N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide (PubChem CID 42211197) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide
PubChem CID42211197
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCC2(CCN(C/C=C/c3ccccc3)CC2)O1)c1ccccc1
InChIInChI=1S/C24H30N2O3S/c27-30(28,23-11-5-2-6-12-23)25-20-22-13-14-24(29-22)15-18-26(19-16-24)17-7-10-21-8-3-1-4-9-21/h1-12,22,25H,13-20H2/b10-7+/t22-/m1/s1
InChIKeyMYSLTNGUQJSSOT-HWWNHIDJSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[8-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 75099032
1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
3-cyano-N-[6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octan-2-yl]benzenesulfonamide
CID 170505793
N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide
CID 155861594
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
3-[2-(dimethylamino)ethyl]-8-[(E)-3-phenylprop-2-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776070
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55491399
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
N-cyclopropyl-4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 92645794
(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 126462590
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide (CID 42211197) is N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1CCC2(CCN(C/C=C/c3ccccc3)CC2)O1)c1ccccc1.
What is the InChIKey of N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide?
The InChIKey is MYSLTNGUQJSSOT-HWWNHIDJSA-N. The full InChI is InChI=1S/C24H30N2O3S/c27-30(28,23-11-5-2-6-12-23)25-20-22-13-14-24(29-22)15-18-26(19-16-24)17-7-10-21-8-3-1-4-9-21/h1-12,22,25H,13-20H2/b10-7+/t22-/m1/s1.
What are the key properties of N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide?
N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide has a molecular weight of 426.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-8-[(E)-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 42211197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).