3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-methylphenyl)sulfonyl)-1,8,8-trimethyl-

HCID 214829

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Basic information

CAS: 34334-45-7
Standard SMILES: Cc1ccc(S(=O)(=O)NC(=O)N2CC3CCC(C)(C2)C3(C)C)cc1
InChIKey: ZXVJNNSXLBNSJP-UHFFFAOYSA-N
Molecular formula: C18H26N2O3S
Average molar mass: 350.5 g/mol
Monoisotopic mass: 350.16641387

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-methylphenyl)sulfonyl)-1,8,8-trimethyl-
IUPAC: 1,8,8-trimethyl-N-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.1]octane-3-carboxamide

Names & synonyms

71-16 R&CN-((4-Methylphenyl)sulfonyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-3-carboxamide34334-45-7(Methyl-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octane [French]3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-methylphenyl)sulfonyl)-1,8,8-trimethyl-(Methyl-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octaneRefChem:276762DTXSID109558901,8,8-Trimethyl-N-(4-methylbenzene-1-sulfonyl)-3-azabicyclo[3.2.1]octane-3-carboximidic acid

Database identifiers

CAS: 34334-45-7
PubChem CID: 214829
DTXSID: DTXSID10955890

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 602

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