N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

C15H20N2O3S2 — CID 156601632

IUPACN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)CSc1ccccc1)C2
InChIInChI=1S/C15H20N2O3S2/c1-22(19,20)16-13-7-11-8-14(13)17(9-11)15(18)10-21-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyVYKKLKSCSGIFFJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (PubChem CID 156601632) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
PubChem CID156601632
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)CSc1ccccc1)C2
InChIInChI=1S/C15H20N2O3S2/c1-22(19,20)16-13-7-11-8-14(13)17(9-11)15(18)10-21-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyVYKKLKSCSGIFFJ-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (CID 156601632) is N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1N(C(=O)CSc1ccccc1)C2.
What is the InChIKey of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The InChIKey is VYKKLKSCSGIFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-22(19,20)16-13-7-11-8-14(13)17(9-11)15(18)10-21-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3.
What are the key properties of N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylsulfanylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 156601632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).