N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide

C14H20N2O2S — CID 167848874

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CN2CCC1C2
InChIInChI=1S/C14H20N2O2S/c1-11-4-2-3-5-13(11)10-19(17,18)15-14-9-16-7-6-12(14)8-16/h2-5,12,14-15H,6-10H2,1H3
InChIKeyRIQOWDFFGWDNGE-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.12
Rot. Bonds4

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 167848874) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID167848874
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CN2CCC1C2
InChIInChI=1S/C14H20N2O2S/c1-11-4-2-3-5-13(11)10-19(17,18)15-14-9-16-7-6-12(14)8-16/h2-5,12,14-15H,6-10H2,1H3
InChIKeyRIQOWDFFGWDNGE-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide (CID 167848874) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NC1CN2CCC1C2.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is RIQOWDFFGWDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-4-2-3-5-13(11)10-19(17,18)15-14-9-16-7-6-12(14)8-16/h2-5,12,14-15H,6-10H2,1H3.
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 167848874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).