N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

C22H32N2O4S — CID 91919914

IUPACN-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCc1cccc(CC(=O)N2CCC3(CC2)CC(N(C2CC2)S(C)(=O)=O)CCO3)c1
InChIInChI=1S/C22H32N2O4S/c1-17-4-3-5-18(14-17)15-21(25)23-11-9-22(10-12-23)16-20(8-13-28-22)24(19-6-7-19)29(2,26)27/h3-5,14,19-20H,6-13,15-16H2,1-2H3
InChIKeyYRJKRZONLSFIOJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.50
Rot. Bonds5

About N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (PubChem CID 91919914) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
PubChem CID91919914
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCc1cccc(CC(=O)N2CCC3(CC2)CC(N(C2CC2)S(C)(=O)=O)CCO3)c1
InChIInChI=1S/C22H32N2O4S/c1-17-4-3-5-18(14-17)15-21(25)23-11-9-22(10-12-23)16-20(8-13-28-22)24(19-6-7-19)29(2,26)27/h3-5,14,19-20H,6-13,15-16H2,1-2H3
InChIKeyYRJKRZONLSFIOJ-UHFFFAOYSA-N
XLogP2.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide with MolForge

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Related Compounds

1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 91919875
2-(3-fluorophenyl)-1-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 164636277
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (CID 91919914) is N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is Cc1cccc(CC(=O)N2CCC3(CC2)CC(N(C2CC2)S(C)(=O)=O)CCO3)c1.
What is the InChIKey of N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The InChIKey is YRJKRZONLSFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-17-4-3-5-18(14-17)15-21(25)23-11-9-22(10-12-23)16-20(8-13-28-22)24(19-6-7-19)29(2,26)27/h3-5,14,19-20H,6-13,15-16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is sourced from PubChem (CID 91919914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).