N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide

C14H20N2O2S — CID 61231975

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O2S/c17-19(18,10-11-4-2-1-3-5-11)16-14-8-12-6-7-13(9-14)15-12/h1-5,12-16H,6-10H2
InChIKeySSSKLBUYKNFNAJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.39
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide (PubChem CID 61231975) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
PubChem CID61231975
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O2S/c17-19(18,10-11-4-2-1-3-5-11)16-14-8-12-6-7-13(9-14)15-12/h1-5,12-16H,6-10H2
InChIKeySSSKLBUYKNFNAJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
CID 119967873
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-phenylmethanesulfonamide
CID 43602919
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-phenylmethanesulfonamide
CID 124877063
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
CID 119967726
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
CID 99645713
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
CID 68843110
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-phenylmethanesulfonamide
CID 154819842

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide (CID 61231975) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide?
The InChIKey is SSSKLBUYKNFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,10-11-4-2-1-3-5-11)16-14-8-12-6-7-13(9-14)15-12/h1-5,12-16H,6-10H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 61231975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).