5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide

C23H30N2O4S2 — CID 57497764

IUPAC5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C23H30N2O4S2/c1-16(2)22-12-11-21(30(26,27)20-7-5-4-6-8-20)15-23(22)31(28,29)24-17-13-18-9-10-19(14-17)25(18)3/h4-8,11-12,15-19,24H,9-10,13-14H2,1-3H3/t17?,18-,19+
InChIKeyOEEIUOBWAYAMPQ-YQQQUEKLSA-N
MW462.64 g/mol
LogP3.55
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide

5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide (PubChem CID 57497764) has the molecular formula C23H30N2O4S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide
PubChem CID57497764
Molecular FormulaC23H30N2O4S2
Molecular Weight462.64 g/mol
Exact Mass462.16
IUPAC Name5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C23H30N2O4S2/c1-16(2)22-12-11-21(30(26,27)20-7-5-4-6-8-20)15-23(22)31(28,29)24-17-13-18-9-10-19(14-17)25(18)3/h4-8,11-12,15-19,24H,9-10,13-14H2,1-3H3/t17?,18-,19+
InChIKeyOEEIUOBWAYAMPQ-YQQQUEKLSA-N
XLogP3.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Way-316606
CID 16727102
5-(Phenylsulfonyl)-N-[1-(phenylsulfonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 46229526
sFRP-1 Inhibitor
CID 25147677
2-Ethyl-5-(phenylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 25147678
N-((1-isopropylpiperidin-4-yl)methyl)-[1,1'-biphenyl]-4-sulfonamide
CID 16887580
WAY 316606 hydrochloride
CID 25186563
5-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 57430321
5-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 57430322
5-(4-fluorophenyl)sulfonyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 57430325
5-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 57430326
5-[(4-fluorophenyl)sulfonyl]-2-isopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 57430402
N-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonamide
CID 57430403

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide (CID 57497764) is 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide?
The InChIKey is OEEIUOBWAYAMPQ-YQQQUEKLSA-N. The full InChI is InChI=1S/C23H30N2O4S2/c1-16(2)22-12-11-21(30(26,27)20-7-5-4-6-8-20)15-23(22)31(28,29)24-17-13-18-9-10-19(14-17)25(18)3/h4-8,11-12,15-19,24H,9-10,13-14H2,1-3H3/t17?,18-,19+.
What are the key properties of 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide?
5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide has a molecular weight of 462.64 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 57497764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).