N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide

C18H28N2O2S — CID 119968036

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H28N2O2S/c1-13(2)3-4-14-5-9-18(10-6-14)23(21,22)20-17-11-15-7-8-16(12-17)19-15/h5-6,9-10,13,15-17,19-20H,3-4,7-8,11-12H2,1-2H3
InChIKeyNJXQKEYEDPWHEX-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.84
Rot. Bonds6

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide (PubChem CID 119968036) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
PubChem CID119968036
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H28N2O2S/c1-13(2)3-4-14-5-9-18(10-6-14)23(21,22)20-17-11-15-7-8-16(12-17)19-15/h5-6,9-10,13,15-17,19-20H,3-4,7-8,11-12H2,1-2H3
InChIKeyNJXQKEYEDPWHEX-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
CID 95628967
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986
3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
CID 119967738
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
CID 119980169
sodium 4-(3-methylbutyl)benzenesulfonate
CID 23686331

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide (CID 119968036) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide is CC(C)CCc1ccc(S(=O)(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide?
The InChIKey is NJXQKEYEDPWHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13(2)3-4-14-5-9-18(10-6-14)23(21,22)20-17-11-15-7-8-16(12-17)19-15/h5-6,9-10,13,15-17,19-20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide has a molecular weight of 336.50 g/mol, XLogP of 2.84, 6 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)-4-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 119968036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).