N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C17H26N2O3S — CID 124782595

IUPACN-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-23(20,21)18-16-8-12-22-17(13-16)9-11-19(14-17)10-7-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3/t16-,17-/m0/s1
InChIKeyIIBVYMDRGQGBFP-IRXDYDNUSA-N
MW338.47 g/mol
LogP1.40
Rot. Bonds5

About N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 124782595) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID124782595
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-23(20,21)18-16-8-12-22-17(13-16)9-11-19(14-17)10-7-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3/t16-,17-/m0/s1
InChIKeyIIBVYMDRGQGBFP-IRXDYDNUSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide 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-[cis-2-[(cis-4-phenylcyclohexoxy)methyl]-3-piperidyl]methanesulfonamide
CID 130310078
1-Methylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 71975862
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 135238485
N-[(2R,3S)-2-[[(4S)-4-(4-fluorophenyl)hexoxy]methyl]piperidin-3-yl]methanesulfonamide
CID 153483526
N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 166587267
N-[[(5R,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475778
N-[[(5R,7S)-2-[(2-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476126
N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98897467
N-[(4R)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98897468
N-[[(5S,7S)-2-[(2-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 124781767
N-[[(5S,7S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 124782027
N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131648007

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 124782595) is N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(CCc3ccccc3)C2)C1.
What is the InChIKey of N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is IIBVYMDRGQGBFP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23(20,21)18-16-8-12-22-17(13-16)9-11-19(14-17)10-7-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 124782595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).