N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C15H20N2O3S — CID 156601682

IUPACN-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)16-14-9-13-8-12(14)10-17(13)15(18)7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyJLMRNNHXWIWSEM-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.77
Rot. Bonds4

About N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601682) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601682
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)16-14-9-13-8-12(14)10-17(13)15(18)7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyJLMRNNHXWIWSEM-UHFFFAOYSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 2975931
N-(1-Methanesulfonyl-piperidin-4-yl)-2-phenyl-acetamide
CID 654591
N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide
CID 38174080
N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide
CID 42949877
2-(4-fluorophenyl)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 49688223
N-[[1-(4-phenylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 53524513
N-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 91625017
2-(3-Fluorophenyl)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 91910267
2-(2-Fluorophenyl)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 91910277
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-2-(4-fluorophenyl)acetamide
CID 91910996
2-(4-Fluorophenyl)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 91921411
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-2-(3-fluorophenyl)acetamide
CID 91923093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601682) is N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is JLMRNNHXWIWSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)16-14-9-13-8-12(14)10-17(13)15(18)7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3.
What are the key properties of N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).