N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide

C15H23N3O2S — CID 43131792

IUPACN-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
SMILESCN1C2CCC1CC(Nc1cccc(NS(C)(=O)=O)c1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-14-6-7-15(18)10-13(9-14)16-11-4-3-5-12(8-11)17-21(2,19)20/h3-5,8,13-17H,6-7,9-10H2,1-2H3
InChIKeyBXBDJUSFKLTFAF-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.10
Rot. Bonds4

About N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide

N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 43131792) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
PubChem CID43131792
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
SMILESCN1C2CCC1CC(Nc1cccc(NS(C)(=O)=O)c1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-14-6-7-15(18)10-13(9-14)16-11-4-3-5-12(8-11)17-21(2,19)20/h3-5,8,13-17H,6-7,9-10H2,1-2H3
InChIKeyBXBDJUSFKLTFAF-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
CID 43742532
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide (CID 43131792) is N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide is CN1C2CCC1CC(Nc1cccc(NS(C)(=O)=O)c1)C2.
What is the InChIKey of N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is BXBDJUSFKLTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-14-6-7-15(18)10-13(9-14)16-11-4-3-5-12(8-11)17-21(2,19)20/h3-5,8,13-17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide?
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 43131792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).