N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide

C16H24N2O2S — CID 61231449

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H24N2O2S/c1-11-4-5-12(2)16(8-11)21(19,20)18(3)15-9-13-6-7-14(10-15)17-13/h4-5,8,13-15,17H,6-7,9-10H2,1-3H3
InChIKeyMLXOYAFMFGEHQX-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.21
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide (PubChem CID 61231449) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
PubChem CID61231449
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H24N2O2S/c1-11-4-5-12(2)16(8-11)21(19,20)18(3)15-9-13-6-7-14(10-15)17-13/h4-5,8,13-15,17H,6-7,9-10H2,1-3H3
InChIKeyMLXOYAFMFGEHQX-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79120226
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120894149
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
CID 79989370
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 120712698
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61231261
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide (CID 61231449) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)C2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is MLXOYAFMFGEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-4-5-12(2)16(8-11)21(19,20)18(3)15-9-13-6-7-14(10-15)17-13/h4-5,8,13-15,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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)-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 61231449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).